Geometry & MOs

Info

ID:	426341
PubChem CID:	135143529
Reduced:	ClS2N5O5C25H26 (1)
Stoich.:	AB2C5D5E25F26 (1)
Weight, g/mol:	321.15175
ΔH_f, kcal/mol:	-96.27
Dipole, Da:	10.55
IP(EA), eV:	-9.07(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-phenylphenyl)-4,9-dihydro-3H-carbazole

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)[C@H](CC(=O)O)C3=CC(=C(S3)Cl)CN4C[C@H](OC5=C(S4(=O)=O)C=CC=N5)C)C)N=N1

DOS

IR

Vibrations