Geometry & MOs

Info

ID:	175660
PubChem CID:	75932230
Reduced:	Cl2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	456.128983
ΔH_f, kcal/mol:	21.72
Dipole, Da:	2.08
IP(EA), eV:	-8.76(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-carbamoyl-4-[(7-methyl-4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]butanamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)CC2=CN3C=C(C=C(C3=N2)Cl)Cl)C

DOS

IR

Vibrations