Geometry & MOs

Info

ID:	123123
PubChem CID:	50834642
Reduced:	SO3N4C23H24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	447.136511
ΔH_f, kcal/mol:	-54.93
Dipole, Da:	2.61
IP(EA), eV:	-8.1(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-8-methoxy-5-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyrimido[5,4-b]indol-4-one

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(C3=C(N2C)C=CC(=C3)OC)N=C1SCC(=O)NC4=CC=C(C=C4)C

DOS

IR

Vibrations