Geometry & MOs

Info

ID:	339854
PubChem CID:	127261863
Reduced:	O2N6C19H26 (1)
Stoich.:	A2B6C19D26 (1)
Weight, g/mol:	393.212452
ΔH_f, kcal/mol:	-39.78
Dipole, Da:	4.15
IP(EA), eV:	-8.83(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations