Geometry & MOs

Info

ID:	397365
PubChem CID:	135030116
Reduced:	NSO4C17H19 (1)
Stoich.:	ABC4D17E19 (1)
Weight, g/mol:	386.166414
ΔH_f, kcal/mol:	-60.16
Dipole, Da:	7.58
IP(EA), eV:	-8.61(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(E)-1-phenyl-4-(phenylsulfonimidoyl)but-3-en-2-yl]carbamate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)/C=C/S(=N)(=O)C2=CC=CC=C2OC

DOS

IR

Vibrations