Geometry & MOs

Info

ID:	148674
PubChem CID:	53788342
Reduced:	SN2O2C22H24 (1)
Stoich.:	AB2C2D22E24 (1)
Weight, g/mol:	130.062994
ΔH_f, kcal/mol:	-29.97
Dipole, Da:	3.24
IP(EA), eV:	-8.33(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-but-2-enoxyacetic acid

Drug info:

PubChemData

Smile

CC1=CN(C(=C1C2=CC=CC=C2)O)C(C)(C)C(=O)NC3=CC(=CC=C3)SC

DOS

IR

Vibrations