Geometry & MOs

Info

ID:	426358
PubChem CID:	135143575
Reduced:	BrFSN2O5C22H30 (1)
Stoich.:	ABCD2E5F22G30 (1)
Weight, g/mol:	540.231397
ΔH_f, kcal/mol:	-256.6
Dipole, Da:	2.73
IP(EA), eV:	-8.76(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8,9-dihydro-5H-benzo[7]annulen-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

Drug info:

PubChemData

Smile

CC1(C(=NC(CS1=O)C2=C(C=CC(=C2)Br)F)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations