Geometry & MOs

Info

ID:	258309
PubChem CID:	103152821
Reduced:	NSO4C10H19 (1)
Stoich.:	ABC4D10E19 (1)
Weight, g/mol:	314.104876
ΔH_f, kcal/mol:	-204.66
Dipole, Da:	4.9
IP(EA), eV:	-9.1(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)SCC(=O)NCC(CC(=O)O)OC

DOS

IR

Vibrations