Geometry & MOs

Info

ID:	13888
PubChem CID:	399596
Reduced:	ClSN4O4C25H29 (1)
Stoich.:	ABC4D4E25F29 (1)
Weight, g/mol:	516.159804
ΔH_f, kcal/mol:	-99.62
Dipole, Da:	2.58
IP(EA), eV:	-8.96(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(CC(C)C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Cl

DOS

IR

Vibrations