Geometry & MOs

Info

ID:	175094
PubChem CID:	75855105
Reduced:	NSO6H19C21 (1)
Stoich.:	ABC6D19E21 (1)
Weight, g/mol:	405.06394
ΔH_f, kcal/mol:	-126.24
Dipole, Da:	3.88
IP(EA), eV:	-9.34(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1OC(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C=C2C

DOS

IR

Vibrations