Geometry & MOs

Info

ID:	436756
PubChem CID:	135211192
Reduced:	S2N4O4C27H30 (1)
Stoich.:	A2B4C4D27E30 (1)
Weight, g/mol:	398.210661
ΔH_f, kcal/mol:	-33.81
Dipole, Da:	12.48
IP(EA), eV:	-7.82(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(3S)-3,5-dimethylpiperazin-1-yl]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

Drug info:

PubChemData

Smile

CC1(C2=CC(=C(C=C2C(=O)C3=C1NC4=C3C=CC(=C4)C#N)S(=O)N(C)C)OCCN5CCS(=O)CC5)C

DOS

IR

Vibrations