Geometry & MOs

Info

ID:	12257
PubChem CID:	133615
Reduced:	ClN3O4C23H34 (1)
Stoich.:	AB3C4D23E34 (1)
Weight, g/mol:	451.223784
ΔH_f, kcal/mol:	-180.04
Dipole, Da:	5.34
IP(EA), eV:	-9.67(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2R)-2-[[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]amino]-4-methylpentanoyl]-2-formamidohexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC(=O)[C@@H](CC(C)C)N[C@@H](CC1=CC=CC=C1)C(=O)CCl)NC=O

DOS

IR

Vibrations