Geometry & MOs

Info

ID:	270902
PubChem CID:	103638648
Reduced:	ClO2N4C12H13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	291.984004
ΔH_f, kcal/mol:	-36.62
Dipole, Da:	2.75
IP(EA), eV:	-9.28(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dichlorothiophene-3-carbonyl)-1,4-diazepan-2-one

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CNC(=O)C2=CC(=NC(=C2)Cl)N)C

DOS

IR

Vibrations