Geometry & MOs

Info

ID:	213508
PubChem CID:	81063943
Reduced:	SN2O5C13H24 (1)
Stoich.:	AB2C5D13E24 (1)
Weight, g/mol:	268.153541
ΔH_f, kcal/mol:	-247.73
Dipole, Da:	5.41
IP(EA), eV:	-9.62(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-tert-butyl-1H-1,2,4-triazole-3-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCC(CC1)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations