Geometry & MOs

Info

ID:	151050
PubChem CID:	53790747
Reduced:	NOC9H9 (1)
Stoich.:	ABC9D9 (1)
Weight, g/mol:	459.101955
ΔH_f, kcal/mol:	53.76
Dipole, Da:	2.62
IP(EA), eV:	-9.24(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(4-chlorophenyl)methyl]-3-[[dimethylamino(pyrrol-2-ylidene)methyl]sulfamoyl]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC#CCN

DOS

IR

Vibrations