Geometry & MOs

Info

ID:	307403
PubChem CID:	125299806
Reduced:	SO3N4H18C20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	394.109962
ΔH_f, kcal/mol:	-1.37
Dipole, Da:	2.74
IP(EA), eV:	-8.43(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-2-[[(2R)-3-methyl-4-oxo-2H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CN1[C@H](N=C2C3=CC=CC=C3N=C2C1=O)SCC(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations