Geometry & MOs

Info

ID:	135974
PubChem CID:	51961693
Reduced:	ON5C20H35 (1)
Stoich.:	AB5C20D35 (1)
Weight, g/mol:	477.181016
ΔH_f, kcal/mol:	-39.3
Dipole, Da:	4.35
IP(EA), eV:	-8.25(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4S)-2-methyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindol-4-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C[C@@H](C)CNC(=O)NCC2=CC=C(C=C2)N(C)C

DOS

IR

Vibrations