Geometry & MOs

Info

ID:	187770
PubChem CID:	77621769
Reduced:	SN2O2H10C13 (1)
Stoich.:	AB2C2D10E13 (1)
Weight, g/mol:	664.221878
ΔH_f, kcal/mol:	45.89
Dipole, Da:	6.22
IP(EA), eV:	-9.35(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-phenyl-3-[[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonyl-2,3-dihydroindole-2-carbonyl]amino]butanoate

Drug info:

PubChemData

Smile

COC1C=CC2=C(N=NC(=O)C2=C1)C3=CC=CS3

DOS

IR

Vibrations