Geometry & MOs

Info

ID:	261990
PubChem CID:	103264891
Reduced:	SO2N3C8H17 (1)
Stoich.:	AB2C3D8E17 (1)
Weight, g/mol:	205.110279
ΔH_f, kcal/mol:	-83.0
Dipole, Da:	3.22
IP(EA), eV:	-8.59(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(but-3-en-2-ylamino)methyl]benzoic acid

Drug info:

PubChemData

Smile

C1CS(=O)CCC1NCC(C(=O)N)N

DOS

IR

Vibrations