Geometry & MOs

Info

ID:	134993
PubChem CID:	51794733
Reduced:	ClN2O2C25H29 (1)
Stoich.:	AB2C2D25E29 (1)
Weight, g/mol:	402.17102
ΔH_f, kcal/mol:	-66.37
Dipole, Da:	6.06
IP(EA), eV:	-9.38(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(butylamino)-1-(3-hydroxyphenyl)-2-oxoethyl]-N-(3-chlorophenyl)butanamide

Drug info:

PubChemData

Smile

CC(=CC(=O)N(C1=CC(=CC=C1)Cl)[C@H](C2=CC=CC=C2)C(=O)NC3CCCCC3)C

DOS

IR

Vibrations