Geometry & MOs

Info

ID:	131720
PubChem CID:	51252294
Reduced:	SN4O4C16H18 (1)
Stoich.:	AB4C4D16E18 (1)
Weight, g/mol:	305.210327
ΔH_f, kcal/mol:	-75.12
Dipole, Da:	8.27
IP(EA), eV:	-9.15(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[bis(2-methylpropyl)amino]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)N3CCN(CC3)S(=O)(=O)C

DOS

IR

Vibrations