Geometry & MOs

Info

ID:	186867
PubChem CID:	77499037
Reduced:	N5O5C25H29 (1)
Stoich.:	A5B5C25D29 (1)
Weight, g/mol:	271.135448
ΔH_f, kcal/mol:	-128.07
Dipole, Da:	9.75
IP(EA), eV:	-9.01(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethylamino]butanoic acid

Drug info:

PubChemData

Smile

CC1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCCC5C(=O)O

DOS

IR

Vibrations