Geometry & MOs

Info

ID:	33714
PubChem CID:	7887665
Reduced:	FNO4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	403.084676
ΔH_f, kcal/mol:	-211.87
Dipole, Da:	5.38
IP(EA), eV:	-9.73(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)COC(=O)C1=C(C=C(C=C1)OC)F

DOS

IR

Vibrations