Geometry & MOs

Info

ID:	340052
PubChem CID:	127262061
Reduced:	O7N8C24H28 (1)
Stoich.:	A7B8C24D28 (1)
Weight, g/mol:	433.207367
ΔH_f, kcal/mol:	-70.37
Dipole, Da:	8.16
IP(EA), eV:	-9.14(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-acetyl-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-(4-nitrophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1C[C@H](N(C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N(C3=CC=C(C=C3)[N+](=O)[O-])[C@@H](CCCN=C(N)N)C(=O)N

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1C[C@H](N(C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N(C3=CC=C(C=C3)[N+](=O)[O-])[C@@H](CCCN=C(N)N)C(=O)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):