Geometry & MOs

Info

ID:	33400
PubChem CID:	7886258
Reduced:	NOSC10H10 (2)
Stoich.:	ABCD10E10 (2)
Weight, g/mol:	374.123504
ΔH_f, kcal/mol:	-19.29
Dipole, Da:	8.46
IP(EA), eV:	-8.56(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC=NC3=C2C4=C(S3)CCCC4

DOS

IR

Vibrations