Geometry & MOs

Info

ID:	171692
PubChem CID:	75413976
Reduced:	ClN3O3C20H20 (1)
Stoich.:	AB3C3D20E20 (1)
Weight, g/mol:	305.090807
ΔH_f, kcal/mol:	-31.06
Dipole, Da:	3.43
IP(EA), eV:	-8.76(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-propan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2(CCCC2)NC(=O)/C=C/C3=CC4=C(C=CC(=C4)Cl)OC3

DOS

IR

Vibrations