Geometry & MOs

Info

ID:	33430
PubChem CID:	7886420
Reduced:	Cl2O3N5C13H13 (1)
Stoich.:	A2B3C5D13E13 (1)
Weight, g/mol:	395.112605
ΔH_f, kcal/mol:	-13.35
Dipole, Da:	4.66
IP(EA), eV:	-9.65(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1Cl)NC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)Cl

DOS

IR

Vibrations