Geometry & MOs

Info

ID:	184713
PubChem CID:	77195850
Reduced:	NF4O4C18H21 (1)
Stoich.:	AB4C4D18E21 (1)
Weight, g/mol:	387.114044
ΔH_f, kcal/mol:	-393.67
Dipole, Da:	4.02
IP(EA), eV:	-9.88(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]-2,3-dihydroindole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC1C(C2=CC(=C(C=C2)C(F)(F)F)F)C(=O)O

DOS

IR

Vibrations