Geometry & MOs

Info

ID:	33423
PubChem CID:	7886375
Reduced:	FN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	350.087118
ΔH_f, kcal/mol:	-134.96
Dipole, Da:	2.27
IP(EA), eV:	-9.25(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(methylcarbamoyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)propanamide

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)F)C(=O)CN2C(=O)[C@](NC2=O)(C)C3=CC=C(C=C3)C

DOS

IR

Vibrations