Geometry & MOs

Info

ID:	69029
PubChem CID:	46515885
Reduced:	SO3N4C26H26 (1)
Stoich.:	AB3C4D26E26 (1)
Weight, g/mol:	326.166414
ΔH_f, kcal/mol:	-23.47
Dipole, Da:	6.66
IP(EA), eV:	-8.88(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(methanesulfonamido)-N-(6-methylheptan-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)COC2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC(=O)N5C=CSC5=N4

DOS

IR

Vibrations