Geometry & MOs

Info

ID:	180232
PubChem CID:	76602342
Reduced:	N2S2O3F5H21C26 (1)
Stoich.:	A2B2C3D5E21F26 (1)
Weight, g/mol:	792.474724
ΔH_f, kcal/mol:	-234.52
Dipole, Da:	7.59
IP(EA), eV:	-8.83(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[N-[(4-methylphenyl)sulfonylamino]-C-(3,4,5-trioctoxyphenyl)carbonimidoyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NN=C(CCCCOC2=C(C(=C(C(=C2F)F)F)F)F)C3=CC4=CC=CC=C4S3

DOS

IR

Vibrations