Geometry & MOs

Info

ID:	61580
PubChem CID:	26710690
Reduced:	N2O2S2C19H20 (1)
Stoich.:	A2B2C2D19E20 (1)
Weight, g/mol:	435.147744
ΔH_f, kcal/mol:	-19.32
Dipole, Da:	2.45
IP(EA), eV:	-8.83(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-indol-3-yl)ethyl]-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC(=O)NCC2=CC=C(S2)C3=CSC(=N3)C)C

DOS

IR

Vibrations