Geometry & MOs

Info

ID:	67453
PubChem CID:	46506507
Reduced:	SN3O3C25H29 (1)
Stoich.:	AB3C3D25E29 (1)
Weight, g/mol:	510.193691
ΔH_f, kcal/mol:	-67.09
Dipole, Da:	4.13
IP(EA), eV:	-7.97(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,4-dimethoxyphenyl)ethyl]-5-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)pentanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=S)N3CCC(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations