Geometry & MOs

Info

ID:	307535
PubChem CID:	125307405
Reduced:	OF3N6C22H23 (1)
Stoich.:	AB3C6D22E23 (1)
Weight, g/mol:	425.107709
ΔH_f, kcal/mol:	-120.15
Dipole, Da:	10.17
IP(EA), eV:	-9.31(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-[[4-ethyl-5-(2H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC=C(C(=N2)C)C3=NC(=NC(=O)C3)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations