Geometry & MOs

Info

ID:	67862
PubChem CID:	46507320
Reduced:	SN3O4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	379.135448
ΔH_f, kcal/mol:	-85.47
Dipole, Da:	6.87
IP(EA), eV:	-8.39(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OC2=CC(=NC=N2)SCC(=O)NCC3=C(C(=CC=C3)OC)OC)C

DOS

IR

Vibrations