Geometry & MOs

Info

ID:	307868
PubChem CID:	125310115
Reduced:	N3C10H11 (1)
Stoich.:	A3B10C11 (1)
Weight, g/mol:	438.136176
ΔH_f, kcal/mol:	77.7
Dipole, Da:	1.01
IP(EA), eV:	-9.52(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1(C2=CC3=C(CC=N3)N=C2)N

DOS

IR

Vibrations