Geometry & MOs

Info

ID:	340131
PubChem CID:	127262140
Reduced:	N5O5C23H29 (1)
Stoich.:	A5B5C23D29 (1)
Weight, g/mol:	441.201219
ΔH_f, kcal/mol:	-104.7
Dipole, Da:	7.47
IP(EA), eV:	-9.43(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-methyl-N-(4-nitrophenyl)butanamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N(C1=CC=C(C=C1)[N+](=O)[O-])[C@@H](CC2=CC=CC=C2)C(=O)N)NC(=O)CN

DOS

IR

Vibrations