Geometry & MOs

Info

ID:	204698
PubChem CID:	79998778
Reduced:	NSO3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	368.08095
ΔH_f, kcal/mol:	-122.56
Dipole, Da:	4.48
IP(EA), eV:	-9.6(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-4-methylthiophen-2-yl)-(3,5-dimethyl-1-adamantyl)methanol

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(S2)/C=C/C(=O)O)C

DOS

IR

Vibrations