Geometry & MOs

Info

ID:	198877
PubChem CID:	79165299
Reduced:	BrN4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	302.075885
ΔH_f, kcal/mol:	37.84
Dipole, Da:	5.8
IP(EA), eV:	-9.34(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-methyl-2-[(4-methylmorpholin-2-yl)methylsulfanyl]-1,3-thiazol-5-yl]acetic acid

Drug info:

PubChemData

Smile

CC1CCCCCC1NCC2=CN=C3N2C=C(N=C3)Br

DOS

IR

Vibrations