Geometry & MOs

Info

ID:	380607
PubChem CID:	134971097
Reduced:	NSO2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	315.138992
ΔH_f, kcal/mol:	-31.12
Dipole, Da:	5.17
IP(EA), eV:	-9.47(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-chloro-N-[(Z)-[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-3-enylidene]methyl]acetamide

Drug info:

PubChemData

Smile

CC1CN([C@H]1C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations