Geometry & MOs

Info

ID:	196239
PubChem CID:	78800485
Reduced:	SCl2N3O3C18H29 (1)
Stoich.:	AB2C3D3E18F29 (1)
Weight, g/mol:	329.09904
ΔH_f, kcal/mol:	-138.73
Dipole, Da:	4.21
IP(EA), eV:	-8.82(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-1-adamantyl)-N-(2-hydroxypropyl)acetamide

Drug info:

PubChemData

Smile

CC(C)CNS(=O)(=O)C1=C(C=C(C(=C1)C(=O)NCC(C)(C)CN(C)C)Cl)Cl

DOS

IR

Vibrations