Geometry & MOs

Info

ID:	216754
PubChem CID:	85086726
Reduced:	NSO2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	299.098
ΔH_f, kcal/mol:	37.34
Dipole, Da:	4.93
IP(EA), eV:	-9.07(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzylsulfanyl-N-(4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC(=CCCC2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations