Geometry & MOs

Info

ID:	342134
PubChem CID:	127264847
Reduced:	ClSN2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	71.33
Dipole, Da:	1.47
IP(EA), eV:	-9.07(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-phenyl-1-prop-2-enoyl-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

CC(=CC1=CC(=CS1)Cl)C2=NC=CN=C2

DOS

IR

Vibrations