Geometry & MOs

Info

ID:	221406
PubChem CID:	85272551
Reduced:	OS2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	244.007132
ΔH_f, kcal/mol:	-34.62
Dipole, Da:	3.4
IP(EA), eV:	-8.27(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-bis(trifluoromethyl)-1,3-diazepin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1SC)C)C)S(=O)C)C

DOS

IR

Vibrations