Geometry & MOs

Info

ID:	63761
PubChem CID:	26759133
Reduced:	N2S3O4C21H24 (1)
Stoich.:	A2B3C4D21E24 (1)
Weight, g/mol:	424.049585
ΔH_f, kcal/mol:	-112.11
Dipole, Da:	10.54
IP(EA), eV:	-9.15(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC=C(C=C3)C4SCCS4

DOS

IR

Vibrations