Geometry & MOs

Info

ID:	213652
PubChem CID:	81064496
Reduced:	NO5C12H15 (1)
Stoich.:	AB5C12D15 (1)
Weight, g/mol:	312.125612
ΔH_f, kcal/mol:	-200.67
Dipole, Da:	4.65
IP(EA), eV:	-10.15(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=COC(=O)C=C1

DOS

IR

Vibrations