Geometry & MOs

Info

ID:	243429
PubChem CID:	99222783
Reduced:	SO2N5C20H27 (1)
Stoich.:	AB2C5D20E27 (1)
Weight, g/mol:	401.188546
ΔH_f, kcal/mol:	-44.42
Dipole, Da:	7.47
IP(EA), eV:	-9.22(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N2C=NN=C2SCC(=O)N[C@@H](C)C(=O)NC3CCCC3

DOS

IR

Vibrations