Geometry & MOs

Info

ID:	187764
PubChem CID:	77621380
Reduced:	O3N4C24H30 (1)
Stoich.:	A3B4C24D30 (1)
Weight, g/mol:	668.162649
ΔH_f, kcal/mol:	-85.66
Dipole, Da:	4.43
IP(EA), eV:	-8.94(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-[[[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonyl-2,3-dihydroindole-2-carbonyl]amino]methyl]phenyl]sulfanylpropanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C(=O)C3(CCN(CC3)CCC(C4=CC=CC=C4)N)NC2=O

DOS

IR

Vibrations