Geometry & MOs

Info

ID:	122800
PubChem CID:	50822145
Reduced:	SN2O5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	350.199428
ΔH_f, kcal/mol:	-148.03
Dipole, Da:	4.9
IP(EA), eV:	-8.59(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[1-(3-methylbutylcarbamoyl)cyclopropyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations