Geometry & MOs

Info

ID:	35372
PubChem CID:	7979778
Reduced:	SN2O5C20H24 (1)
Stoich.:	AB2C5D20E24 (1)
Weight, g/mol:	378.061864
ΔH_f, kcal/mol:	-160.48
Dipole, Da:	9.84
IP(EA), eV:	-8.88(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-(4-chloro-2-nitrophenoxy)acetyl]amino]-4-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations