Geometry & MOs

Info

ID:	339977
PubChem CID:	127261986
Reduced:	N3O4C25H33 (1)
Stoich.:	A3B4C25D33 (1)
Weight, g/mol:	425.231456
ΔH_f, kcal/mol:	-153.83
Dipole, Da:	6.97
IP(EA), eV:	-9.39(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-4-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCN([C@@H](CC1=CC=CC=C1)C(=O)N)C(=O)[C@H](CC(C)C)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations