Geometry & MOs

Info

ID:	264102
PubChem CID:	103428381
Reduced:	SCl2N2H8C12 (1)
Stoich.:	AB2C2D8E12 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	61.41
Dipole, Da:	2.79
IP(EA), eV:	-8.87(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[butyl(methyl)carbamoyl]-3,6-dimethylbenzoic acid

Drug info:

PubChemData

Smile

C1=CN(C2=C1C(=CC(=C2)Cl)Cl)CC3=NC=CS3

DOS

IR

Vibrations