Geometry & MOs

Info

ID:	243414
PubChem CID:	99222768
Reduced:	SO3N5C19H25 (1)
Stoich.:	AB3C5D19E25 (1)
Weight, g/mol:	403.167811
ΔH_f, kcal/mol:	-72.48
Dipole, Da:	6.02
IP(EA), eV:	-9.15(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-cyclopentyl-2-[[2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1CCCC1)NC(=O)CSC2=NN=CN2C3=CC=C(C=C3)OC

DOS

IR

Vibrations