Geometry & MOs

Info

ID:	340110
PubChem CID:	127262119
Reduced:	O4N6C23H40 (1)
Stoich.:	A4B6C23D40 (1)
Weight, g/mol:	478.290368
ΔH_f, kcal/mol:	-181.63
Dipole, Da:	8.08
IP(EA), eV:	-8.82(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-amino-2-(N-[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]-4-nitroanilino)hexanamide

Drug info:

PubChemData

Smile

CCN([C@@H](CCCCN)C(=O)N)C(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCCCN)N

DOS

IR

Vibrations