Geometry & MOs

Info

ID:	361353
PubChem CID:	127302662
Reduced:	OS2N5C17H19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	385.103103
ΔH_f, kcal/mol:	35.95
Dipole, Da:	2.39
IP(EA), eV:	-8.47(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazol-4-yl)-3-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC(=N2)C)SC3CCN(C3=O)C4=CN(N=C4)C)C

DOS

IR

Vibrations