Geometry & MOs

Info

ID:	174089
PubChem CID:	75722029
Reduced:	ClN2O3C28H39 (1)
Stoich.:	AB2C3D28E39 (1)
Weight, g/mol:	523.187399
ΔH_f, kcal/mol:	-144.47
Dipole, Da:	6.49
IP(EA), eV:	-9.1(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylamino)-1-(4-nitrophenyl)-2-oxoethyl]-N-(2-chlorophenyl)-3-(4-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CCC(CC)C(C(=O)NC(C)(C)CC(C)(C)C)N(C1=CC=CC=C1Cl)C(=O)C2=CC=C(C=C2)O

DOS

IR

Vibrations