Geometry & MOs

Info

ID:	126286
PubChem CID:	50958520
Reduced:	SN3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	344.196074
ΔH_f, kcal/mol:	76.46
Dipole, Da:	5.18
IP(EA), eV:	-8.99(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-acetamido-4-[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]butanamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC(=C1)C2=C3C=CSC3=NC=N2)N4CCCC4

DOS

IR

Vibrations