Geometry & MOs

Info

ID:	43530
PubChem CID:	10321427
Reduced:	OC3H4 (8)
Stoich.:	AB3C4 (8)
Weight, g/mol:	448.072691
ΔH_f, kcal/mol:	-314.24
Dipole, Da:	5.4
IP(EA), eV:	-9.34(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-(2,4-difluorophenyl)sulfanyl-4-(methanesulfonamido)benzamide

Drug info:

PubChemData

Smile

C/C=C(/C)\C(=O)OC(CC=C(C)C)C(=C)C1[C@H]([C@H]2[C@](O2)(C(=O)C1OC(=O)C)C)OC(=O)C

DOS

IR

Vibrations