Geometry & MOs

Info

ID:	194893
PubChem CID:	78604755
Reduced:	NSO4H19C21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	314.175619
ΔH_f, kcal/mol:	-87.63
Dipole, Da:	3.98
IP(EA), eV:	-9.3(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-benzamido-7-ethyl-1,7-dimethylbicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)OC(C)C(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations