Geometry & MOs

Info

ID:	275293
PubChem CID:	103815004
Reduced:	ON5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	243.115381
ΔH_f, kcal/mol:	14.55
Dipole, Da:	4.48
IP(EA), eV:	-9.72(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-4-methylsulfanyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide

Drug info:

PubChemData

Smile

CC(C1=NC=NN1)NC(=O)C(CC2=CC=CC=C2)N

DOS

IR

Vibrations