Geometry & MOs

Info

ID:	63800
PubChem CID:	26759212
Reduced:	ClNSF2O4H16C18 (1)
Stoich.:	ABCD2E4F16G18 (1)
Weight, g/mol:	477.120586
ΔH_f, kcal/mol:	-234.6
Dipole, Da:	4.32
IP(EA), eV:	-9.02(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)carbamoyl]-5-nitrobenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1OC(F)F)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations