Geometry & MOs

Info

ID:	55593
PubChem CID:	17395618
Reduced:	FNSO2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	457.99696
ΔH_f, kcal/mol:	-87.17
Dipole, Da:	3.24
IP(EA), eV:	-9.03(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromothiophen-2-yl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxy-N-methylbenzamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=CC3=C(C=CC=C3S2)F

DOS

IR

Vibrations