Geometry & MOs

Info

ID:	194682
PubChem CID:	78575015
Reduced:	SO2H16C21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	402.116877
ΔH_f, kcal/mol:	7.6
Dipole, Da:	1.59
IP(EA), eV:	-8.62(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C=C2C(OC3=CC=CC=C3C2=O)C4=CC=CC=C4

DOS

IR

Vibrations