Geometry & MOs

Info

ID:	243413
PubChem CID:	99222767
Reduced:	SN2O4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	403.167811
ΔH_f, kcal/mol:	-183.83
Dipole, Da:	5.32
IP(EA), eV:	-9.47(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)CCC(=O)CCC(=O)N[C@H](C)C(=O)NC2CCCC2

DOS

IR

Vibrations