Geometry & MOs

Info

ID:	131598
PubChem CID:	51232237
Reduced:	SO2N3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	373.080489
ΔH_f, kcal/mol:	-18.17
Dipole, Da:	3.15
IP(EA), eV:	-9.18(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chlorofuran-2-yl)-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)NC(=O)CN(C)C(=O)C1=C(N=C(S1)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations