Geometry & MOs

Info

ID:	189996
PubChem CID:	77938071
Reduced:	SF3N4O6C29H37 (1)
Stoich.:	AB3C4D6E29F37 (1)
Weight, g/mol:	439.247107
ΔH_f, kcal/mol:	-371.41
Dipole, Da:	4.37
IP(EA), eV:	-9.07(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 14-anilino-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate

Drug info:

PubChemData

Smile

CC1(CC1)S(=O)(=O)NC(=O)C23CC2C=CCCCCCC(C(=O)N4CCCC4C(=O)N3)NC5=CC(=CC=C5)OC(F)(F)F

DOS

IR

Vibrations