Geometry & MOs

Info

ID:	227490
PubChem CID:	87561844
Reduced:	ClISN2O2H14C18 (1)
Stoich.:	ABCD2E2F14G18 (1)
Weight, g/mol:	338.180149
ΔH_f, kcal/mol:	14.92
Dipole, Da:	4.76
IP(EA), eV:	-8.95(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-methylpropanoic acid;3-aminopropanoic acid;3-(carbamoylamino)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=NNC2=C(C1=S)C=CC(=C2Cl)CC3=CC=C(C=C3)I

DOS

IR

Vibrations