Geometry & MOs

Info

ID:	195979
PubChem CID:	78759152
Reduced:	SN3O5C20H27 (1)
Stoich.:	AB3C5D20E27 (1)
Weight, g/mol:	349.06774
ΔH_f, kcal/mol:	-205.02
Dipole, Da:	7.64
IP(EA), eV:	-9.24(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-3-hydroxyadamantane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2C(CC1S(=O)(=O)N3CCOCC3)C(CC(=O)N2)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations