Geometry & MOs

Info

ID:	69098
PubChem CID:	46518330
Reduced:	SO2N3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	483.153654
ΔH_f, kcal/mol:	-39.63
Dipole, Da:	5.5
IP(EA), eV:	-8.28(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone

Drug info:

PubChemData

Smile

CNC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC

DOS

IR

Vibrations