Geometry & MOs

Info

ID:	33582
PubChem CID:	7887079
Reduced:	NO4C17H21 (1)
Stoich.:	AB4C17D21 (1)
Weight, g/mol:	400.102768
ΔH_f, kcal/mol:	-108.04
Dipole, Da:	2.31
IP(EA), eV:	-8.4(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethylphenyl)carbamoyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)NC(=O)[C@H]2C[C@H]3C[C@H]2C=C3

DOS

IR

Vibrations