Geometry & MOs

Info

ID:	206144
PubChem CID:	80211790
Reduced:	SN2O2C16H26 (1)
Stoich.:	AB2C2D16E26 (1)
Weight, g/mol:	310.171499
ΔH_f, kcal/mol:	-103.12
Dipole, Da:	9.06
IP(EA), eV:	-8.8(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclopentyl(2-methylpropyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=C(SC(=N1)N(CC(C)C)C2CCCC2)C(=O)O

DOS

IR

Vibrations