Geometry & MOs

Info

ID:	132951
PubChem CID:	51451575
Reduced:	N2O5H24C27 (1)
Stoich.:	A2B5C24D27 (1)
Weight, g/mol:	432.118688
ΔH_f, kcal/mol:	-136.28
Dipole, Da:	5.53
IP(EA), eV:	-9.19(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@H](C)NC(=O)COC(=O)C2=CC(=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations