Geometry & MOs

Info

ID:	154016
PubChem CID:	56313376
Reduced:	N2S2O3C19H24 (1)
Stoich.:	A2B2C3D19E24 (1)
Weight, g/mol:	430.1056
ΔH_f, kcal/mol:	-85.03
Dipole, Da:	6.05
IP(EA), eV:	-8.34(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromophenyl)cyclopropyl]-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)N(C)CC3CCCC3

DOS

IR

Vibrations