Geometry & MOs

Info

ID:	290331
PubChem CID:	104429830
Reduced:	ON3C14H27 (1)
Stoich.:	AB3C14D27 (1)
Weight, g/mol:	302.104876
ΔH_f, kcal/mol:	-68.31
Dipole, Da:	3.63
IP(EA), eV:	-8.72(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[3-(tert-butylamino)-3-oxopropyl]-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid

Drug info:

PubChemData

Smile

CCNC1CC2CCC(C1)N2CCC(=O)NCC

DOS

IR

Vibrations