Geometry & MOs

Info

ID:	407056
PubChem CID:	135079220
Reduced:	NSO2C17H23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	245.080041
ΔH_f, kcal/mol:	-25.0
Dipole, Da:	5.85
IP(EA), eV:	-9.36(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-2-anilino-2-oxo-N-(2-oxopropoxy)ethanimidoyl cyanide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CCC=C)CC(=C)C2CC2

DOS

IR

Vibrations