Geometry & MOs

Info

ID:	340094
PubChem CID:	127262103
Reduced:	N4O6C23H28 (1)
Stoich.:	A4B6C23D28 (1)
Weight, g/mol:	419.242021
ΔH_f, kcal/mol:	-151.13
Dipole, Da:	7.35
IP(EA), eV:	-9.84(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-(2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C1=CC=C(C=C1)[N+](=O)[O-])[C@@H](CC(C)C)C(=O)N)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations