Geometry & MOs

Info

ID:	135720
PubChem CID:	51921329
Reduced:	N3O6C22H25 (1)
Stoich.:	A3B6C22D25 (1)
Weight, g/mol:	402.251858
ΔH_f, kcal/mol:	-159.88
Dipole, Da:	3.03
IP(EA), eV:	-9.38(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] (2R)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N[C@H](C(C)C)C(=O)O[C@H](C)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations