Geometry & MOs

Info

ID:	146679
PubChem CID:	53730317
Reduced:	NPCl2O7C19H20 (1)
Stoich.:	ABC2D7E19F20 (1)
Weight, g/mol:	462.28422
ΔH_f, kcal/mol:	-263.16
Dipole, Da:	3.24
IP(EA), eV:	-9.87(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-phenylmethoxybutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=NOC(=C1C(=O)C2=C(C(=C(C=C2)Cl)Cl)CP(=O)(OC)OC)C3CC3

DOS

IR

Vibrations