Geometry & MOs

Info

ID:	123122
PubChem CID:	50834641
Reduced:	ClN4O4C25H27 (1)
Stoich.:	AB4C4D25E27 (1)
Weight, g/mol:	436.156912
ΔH_f, kcal/mol:	-135.17
Dipole, Da:	6.03
IP(EA), eV:	-8.9(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethyl-8-methoxy-5-methyl-4-oxopyrimido[5,4-b]indol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C2=NC(=O)N(C3=CC=CC=C32)CC(=O)NC4=C(C(=CC=C4)Cl)C

DOS

IR

Vibrations