Geometry & MOs

Info

ID:	132437
PubChem CID:	51362259
Reduced:	BrOSN4H9C12 (1)
Stoich.:	ABCD4E9F12 (1)
Weight, g/mol:	394.094501
ΔH_f, kcal/mol:	59.46
Dipole, Da:	4.77
IP(EA), eV:	-8.93(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-imino-9-methyl-1-(morpholine-4-carbonyl)pyrido[2,3-b]indole-3,4-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C(=N1)SC(=N2)NC3=CC=CC=C3)Br

DOS

IR

Vibrations