Geometry & MOs

Info

ID:	307129
PubChem CID:	125269269
Reduced:	ClSO3N5H18C20 (1)
Stoich.:	ABC3D5E18F20 (1)
Weight, g/mol:	346.156039
ΔH_f, kcal/mol:	-44.55
Dipole, Da:	2.77
IP(EA), eV:	-8.73(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-chloro-3-[2-[di(propan-2-yl)amino]ethyl]-2H-pyrimido[5,4-b]indol-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)CSC2=NC(=O)[C@@H](C(=N2)N)NC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations