Geometry & MOs

Info

ID:	57967
PubChem CID:	24398047
Reduced:	SCl2N2O3H20C22 (1)
Stoich.:	AB2C2D3E20F22 (1)
Weight, g/mol:	337.10002
ΔH_f, kcal/mol:	-64.66
Dipole, Da:	4.04
IP(EA), eV:	-9.32(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(4-chloro-2-methylphenyl)adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)CC3=CC=CC=C3)Cl

DOS

IR

Vibrations