Geometry & MOs

Info

ID:	206446
PubChem CID:	80251314
Reduced:	SN2O3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	282.103814
ΔH_f, kcal/mol:	-131.29
Dipole, Da:	5.04
IP(EA), eV:	-9.19(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[cyclopropyl-[(4-methylthiophen-3-yl)methylcarbamoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CNC(=O)N[C@@H](C(C)C)C(=O)O

DOS

IR

Vibrations