Geometry & MOs

Info

ID:	60778
PubChem CID:	26702093
Reduced:	S2N4O5H20C23 (1)
Stoich.:	A2B4C5D20E23 (1)
Weight, g/mol:	388.145678
ΔH_f, kcal/mol:	-57.31
Dipole, Da:	4.32
IP(EA), eV:	-8.97(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclopropylsulfamoyl)-4-methoxy-N-methyl-N-[(1R)-1-phenylethyl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4)S(=O)(=O)NC5CC5

DOS

IR

Vibrations