Geometry & MOs

Info

ID:	208532
PubChem CID:	80540735
Reduced:	SN2O3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	272.097249
ΔH_f, kcal/mol:	-97.63
Dipole, Da:	5.44
IP(EA), eV:	-9.09(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,3-difluorophenyl)carbamoylamino]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CCNC(=O)N(CC1=CSC=C1)C2CC2)C(=O)O

DOS

IR

Vibrations