Geometry & MOs

Info

ID:	308333
PubChem CID:	125326216
Reduced:	OH9C10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	498.172562
ΔH_f, kcal/mol:	-19.07
Dipole, Da:	2.5
IP(EA), eV:	-9.07(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S)-3-(3,5-dimethylphenyl)-4-oxo-2H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](C2=CC=C(C=C2)O)[C@@H](C3=CC=CC=C3)O

DOS

IR

Vibrations