Geometry & MOs

Info

ID:	307888
PubChem CID:	125310546
Reduced:	ClOSN3H20C26 (1)
Stoich.:	ABCD3E20F26 (1)
Weight, g/mol:	474.091725
ΔH_f, kcal/mol:	102.5
Dipole, Da:	5.09
IP(EA), eV:	-9.22(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[[(2R)-3-(4-chlorophenyl)-4-oxo-2H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2[C@H](N=C3C(=CN=C3C2=O)C4=CC=CC=C4)SCC5=CC(=CC=C5)Cl

DOS

IR

Vibrations