Geometry & MOs

Info

ID:	194291
PubChem CID:	78510661
Reduced:	N2O7C21H26 (1)
Stoich.:	A2B7C21D26 (1)
Weight, g/mol:	396.073298
ΔH_f, kcal/mol:	-192.69
Dipole, Da:	7.53
IP(EA), eV:	-8.69(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chlorobenzoyl)-2-oxoazepan-3-yl] pyrrolidine-1-carbodithioate

Drug info:

PubChemData

Smile

CC(C)(C)C1=NOC(=C1)NC(=O)COC(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations