Geometry & MOs

Info

ID:	261619
PubChem CID:	103242314
Reduced:	SN3O3C11H17 (1)
Stoich.:	AB3C3D11E17 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-107.14
Dipole, Da:	5.26
IP(EA), eV:	-8.99(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[1-(furan-2-yl)propan-2-ylamino]-3-methylbut-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CNCC(C(=O)OC)NC(=O)C

DOS

IR

Vibrations