Geometry & MOs

Info

ID:	339850
PubChem CID:	127261859
Reduced:	O5N8C23H30 (1)
Stoich.:	A5B8C23D30 (1)
Weight, g/mol:	450.233916
ΔH_f, kcal/mol:	-81.42
Dipole, Da:	4.52
IP(EA), eV:	-9.27(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(N-[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]-4-nitroanilino)-5-(diaminomethylideneamino)pentanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations