Geometry & MOs

Info

ID:	177538
PubChem CID:	76199023
Reduced:	NSO3H17C19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	375.190654
ΔH_f, kcal/mol:	-55.67
Dipole, Da:	6.93
IP(EA), eV:	-8.87(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 12-(3-methoxyphenyl)-13-oxo-1,4,10,11,12-pentazatricyclo[7.4.0.02,7]tridecane-8-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C(=CC1=C(NC2=CC=CC=C21)C3=CC=CC=C3)S(=O)(=O)C

DOS

IR

Vibrations