Geometry & MOs

Info

ID:	65194
PubChem CID:	29204594
Reduced:	ClSO2N4H19C20 (1)
Stoich.:	ABC2D4E19F20 (1)
Weight, g/mol:	380.033062
ΔH_f, kcal/mol:	12.57
Dipole, Da:	3.88
IP(EA), eV:	-8.89(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N'-(4-chlorobenzoyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)NNC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations