Geometry & MOs

Info

ID:	77933
PubChem CID:	49674962
Reduced:	ClO2N4C19H23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	480.146741
ΔH_f, kcal/mol:	-56.97
Dipole, Da:	3.11
IP(EA), eV:	-8.98(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-(8-methoxy-3,5-dimethyl-4-oxopyrimido[5,4-b]indol-2-yl)sulfanylacetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1CCCN(C1)C2=NC(=CC(=N2)OCC(=O)NC3=CC(=CC=C3)Cl)C

DOS

IR

Vibrations