Geometry & MOs

Info

ID:	273689
PubChem CID:	103771740
Reduced:	NSCl2O2H13C15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	305.14495
ΔH_f, kcal/mol:	-41.02
Dipole, Da:	3.59
IP(EA), eV:	-9.28(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-2-thiophen-3-ylethyl)adamantane-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)/C=C/C(=O)NCC(C2=CSC=C2)O

DOS

IR

Vibrations