Geometry & MOs

Info

ID:	59664
PubChem CID:	24892588
Reduced:	S2N3O5C22H25 (1)
Stoich.:	A2B3C5D22E25 (1)
Weight, g/mol:	465.147075
ΔH_f, kcal/mol:	-123.48
Dipole, Da:	2.98
IP(EA), eV:	-8.43(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetamidophenyl)-2-[[3-(2-methoxyethyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CN(C)CCCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)CCS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations