Geometry & MOs

Info

ID:	39821
PubChem CID:	8142489
Reduced:	N2O2C25H36 (1)
Stoich.:	A2B2C25D36 (1)
Weight, g/mol:	232.067034
ΔH_f, kcal/mol:	-89.51
Dipole, Da:	4.99
IP(EA), eV:	-8.35(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-3-prop-2-enyl-6H-1,3,4-thiadiazin-2-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2(CCCCC2)N(C)C(=O)[C@@H]3[C@@H](C3(C)C)C=C(C)C

DOS

IR

Vibrations