Geometry & MOs

Info

ID:	134968
PubChem CID:	51790583
Reduced:	ClN2O2C22H33 (1)
Stoich.:	AB2C2D22E33 (1)
Weight, g/mol:	402.17102
ΔH_f, kcal/mol:	-127.11
Dipole, Da:	3.07
IP(EA), eV:	-9.47(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(butylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-(2-chlorophenyl)butanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](C1CCCCC1)N(C2=CC=CC=C2Cl)C(=O)CCC

DOS

IR

Vibrations