Geometry & MOs

Info

ID:	339856
PubChem CID:	127261865
Reduced:	O3N7C23H33 (1)
Stoich.:	A3B7C23D33 (1)
Weight, g/mol:	483.223017
ΔH_f, kcal/mol:	-93.56
Dipole, Da:	7.02
IP(EA), eV:	-9.03(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(N-[(2S)-2-acetamido-3-phenylpropanoyl]-4-nitroanilino)-5-(diaminomethylideneamino)pentanamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NCC(=O)N(C1=CC2=CC=CC=C2C=C1)[C@@H](CCCN=C(N)N)C(=O)N)N

DOS

IR

Vibrations