Geometry & MOs

Info

ID:	135150
PubChem CID:	51824932
Reduced:	ClN2O2C22H33 (1)
Stoich.:	AB2C2D22E33 (1)
Weight, g/mol:	468.113811
ΔH_f, kcal/mol:	-106.47
Dipole, Da:	3.37
IP(EA), eV:	-9.39(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[(1S)-2-(tert-butylamino)-1-(2,6-dichlorophenyl)-2-oxoethyl]-3-chlorobenzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](/C=C/CCC)N(C(=O)C1=CC(=CC=C1)Cl)C(C)(C)C

DOS

IR

Vibrations