Geometry & MOs

Info

ID:	49329
PubChem CID:	11532859
Reduced:	F2N2Cl3H19C23 (1)
Stoich.:	A2B2C3D19E23 (1)
Weight, g/mol:	467.143426
ΔH_f, kcal/mol:	-37.65
Dipole, Da:	3.77
IP(EA), eV:	-8.69(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chlorophenyl)methyl]-N-cyclopentyl-3-methyl-5-oxo-2,6-dihydro-[1,4]thiazepino[6,7-b]indole-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(C(CN1CC2=CC(=C(C=C2)F)F)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations