Geometry & MOs

Info

ID:	392359
PubChem CID:	135014715
Reduced:	NSO7C16H21 (1)
Stoich.:	ABC7D16E21 (1)
Weight, g/mol:	491.299536
ΔH_f, kcal/mol:	-247.98
Dipole, Da:	7.55
IP(EA), eV:	-9.89(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-3-[[(3R)-3-[[(2R)-3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoyl]amino]butanoyl]amino]-4-phenylbutanoate

Drug info:

PubChemData

Smile

CC(=NOS(=O)(=O)C)CC(C1=CC=CC=C1)C(C(=O)OC)C(=O)OC

DOS

IR

Vibrations