Geometry & MOs

Info

ID:	33327
PubChem CID:	7885976
Reduced:	SN3O4H15C18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	403.102434
ΔH_f, kcal/mol:	-19.7
Dipole, Da:	3.18
IP(EA), eV:	-8.73(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCC4)[N+](=O)[O-]

DOS

IR

Vibrations