Geometry & MOs

Info

ID:	43451
PubChem CID:	10321318
Reduced:	ClN3O3H20C25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	445.097538
ΔH_f, kcal/mol:	2.49
Dipole, Da:	7.24
IP(EA), eV:	-8.83(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-[6-chloro-9-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1H-carbazol-4-ylidene]amino]guanidine

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=NCC(=O)N2CC3=CC=C(C=C3)Cl)C4=CC=CC(=C4)C#N)OC

DOS

IR

Vibrations