Geometry & MOs

Info

ID:	437023
PubChem CID:	135213834
Reduced:	SN2O2C17H22 (1)
Stoich.:	AB2C2D17E22 (1)
Weight, g/mol:	495.105998
ΔH_f, kcal/mol:	-62.38
Dipole, Da:	4.68
IP(EA), eV:	-8.85(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[7-(dimethylcarbamoyl)-5-methyl-9-oxo-10-sulfooxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-3-yl]methoxy]benzoic acid

Drug info:

PubChemData

Smile

CC(CC1=CSC=C1)NC(=O)NCCCC2=CC=C(C=C2)O

DOS

IR

Vibrations