Geometry & MOs

Info

ID:	159603
PubChem CID:	57288520
Reduced:	OC6H6 (3)
Stoich.:	AB6C6 (3)
Weight, g/mol:	439.047205
ΔH_f, kcal/mol:	-90.94
Dipole, Da:	3.54
IP(EA), eV:	-9.5(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[N'-[3-[2-(difluoromethyl)-1-benzothiophen-3-yl]benzoyl]carbamimidoyl]amino] methanesulfonate

Drug info:

PubChemData

Smile

CCC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)CC(=O)OC

DOS

IR

Vibrations