Geometry & MOs

Info

ID:	414176
PubChem CID:	135087132
Reduced:	NO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	307.087829
ΔH_f, kcal/mol:	-26.43
Dipole, Da:	3.17
IP(EA), eV:	-8.87(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(4-methylphenyl)sulfonyl-prop-2-enylamino]prop-2-ynoate

Drug info:

PubChemData

Smile

CC1(CCCC=C1)C(=O)N(C2=CC=CC=C2)O

DOS

IR

Vibrations