Geometry & MOs

Info

ID:	155515
PubChem CID:	56365851
Reduced:	ClF2N2S2O4C20H21 (1)
Stoich.:	AB2C2D2E4F20G21 (1)
Weight, g/mol:	416.004527
ΔH_f, kcal/mol:	-234.11
Dipole, Da:	5.08
IP(EA), eV:	-9.36(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[3-chloro-2-(difluoromethylsulfanyl)phenyl]carbamoyl]-5-nitrobenzoate

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=C(C(=CC=C3)Cl)SC(F)F

DOS

IR

Vibrations