Geometry & MOs

Info

ID:	67863
PubChem CID:	46507321
Reduced:	SO2N3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	393.151098
ΔH_f, kcal/mol:	-14.45
Dipole, Da:	3.52
IP(EA), eV:	-8.73(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(3,5-dimethylphenoxy)pyrimidin-4-yl]sulfanyl-N-(3-ethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CSC2=NC=NC(=C2)OC3=CC(=CC(=C3)C)C

DOS

IR

Vibrations