Geometry & MOs

Info

ID:	174083
PubChem CID:	75721567
Reduced:	Cl2N2O3C29H32 (1)
Stoich.:	A2B2C3D29E32 (1)
Weight, g/mol:	470.116398
ΔH_f, kcal/mol:	-106.88
Dipole, Da:	3.79
IP(EA), eV:	-9.11(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-1-(3-hydroxyphenyl)-2-oxoethyl]-3-chloro-N-(2-chlorophenyl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)NC(=O)C(C1=CC(=CC=C1)O)N(C2=CC=CC=C2Cl)C(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations