Geometry & MOs

Info

ID:	33873
PubChem CID:	7888536
Reduced:	ON2S2H16C18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	411.053376
ΔH_f, kcal/mol:	31.07
Dipole, Da:	5.08
IP(EA), eV:	-9.0(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1CCC(=O)[C@H](C1)SC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4

DOS

IR

Vibrations