Geometry & MOs

Info

ID:	258901
PubChem CID:	103157383
Reduced:	NO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	273.078327
ΔH_f, kcal/mol:	-90.25
Dipole, Da:	2.42
IP(EA), eV:	-9.21(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COCC1=CC=CC(=C1)CNCC(CC2CCCC2)O

DOS

IR

Vibrations