Geometry & MOs

Info

ID:	339857
PubChem CID:	127261866
Reduced:	O5N7C23H29 (1)
Stoich.:	A5B7C23D29 (1)
Weight, g/mol:	393.176067
ΔH_f, kcal/mol:	-80.5
Dipole, Da:	7.52
IP(EA), eV:	-9.16(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(N-(2-acetamidoacetyl)-4-nitroanilino)-5-(diaminomethylideneamino)pentanamide

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])[C@@H](CCCN=C(N)N)C(=O)N

DOS

IR

Vibrations