Geometry & MOs

Info

ID:	63563
PubChem CID:	26758632
Reduced:	FNO4C20H26 (1)
Stoich.:	ABC4D20E26 (1)
Weight, g/mol:	449.125671
ΔH_f, kcal/mol:	-226.39
Dipole, Da:	2.98
IP(EA), eV:	-9.87(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[5-(diethylsulfamoyl)-2-methylphenyl]carbamoyl]-5-nitrobenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1CCCCCC1)OC(=O)CCC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations