Geometry & MOs

Info

ID:	69212
PubChem CID:	46530461
Reduced:	SN2O4C23H30 (1)
Stoich.:	AB2C4D23E30 (1)
Weight, g/mol:	441.14158
ΔH_f, kcal/mol:	-142.26
Dipole, Da:	4.55
IP(EA), eV:	-9.3(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-1-adamantyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(C(C)C)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C(=O)C

DOS

IR

Vibrations