Geometry & MOs

Info

ID:	142382
PubChem CID:	53025439
Reduced:	SN3O4C25H31 (1)
Stoich.:	AB3C4D25E31 (1)
Weight, g/mol:	490.120796
ΔH_f, kcal/mol:	-147.25
Dipole, Da:	8.05
IP(EA), eV:	-8.76(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-2-[8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxopyrimido[5,4-b]indol-5-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)CCC(=O)N4CCCCC4)C

DOS

IR

Vibrations