Geometry & MOs

Info

ID:	302746
PubChem CID:	124394289
Reduced:	SO3N5C28H35 (1)
Stoich.:	AB3C5D28E35 (1)
Weight, g/mol:	496.065816
ΔH_f, kcal/mol:	-47.5
Dipole, Da:	6.1
IP(EA), eV:	-9.01(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(1S)-1-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-2-methylpropyl]benzamide

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2CC=C)[C@@H](C(C)C)NC(=O)C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations