Geometry & MOs

Info

ID:	178184
PubChem CID:	76291082
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	458.198777
ΔH_f, kcal/mol:	-83.63
Dipole, Da:	7.22
IP(EA), eV:	-8.13(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-(4-ethyl-6-oxo-1,3-diazinan-2-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1C(C(=O)NC(N1)C2=CN=CC=C2)CC(=O)NC3=CC=C(C=C3)OC(C)C

DOS

IR

Vibrations