Geometry & MOs

Info

ID:	431968
PubChem CID:	135172096
Reduced:	O2N3C24H39 (1)
Stoich.:	A2B3C24D39 (1)
Weight, g/mol:	473.271213
ΔH_f, kcal/mol:	-114.06
Dipole, Da:	6.38
IP(EA), eV:	-8.26(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[bis(2-methylpropyl)amino]-3-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)CC(=O)O)NC3CCNC3

DOS

IR

Vibrations