Geometry & MOs

Info

ID:	369156
PubChem CID:	127331399
Reduced:	SO2N6H14C16 (1)
Stoich.:	AB2C6D14E16 (1)
Weight, g/mol:	374.141262
ΔH_f, kcal/mol:	79.24
Dipole, Da:	6.85
IP(EA), eV:	-9.0(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(azepan-1-ylsulfonyl)-N-(2-methylpyrimidin-4-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)C1=NOC2=C1C=C(C=N2)C(=O)NC3=C(N4CCSC4=N3)C#N

DOS

IR

Vibrations