Geometry & MOs

Info

ID:	180800
PubChem CID:	76687611
Reduced:	NO15C47H57 (1)
Stoich.:	AB15C47D57 (1)
Weight, g/mol:	243.147058
ΔH_f, kcal/mol:	-544.25
Dipole, Da:	8.41
IP(EA), eV:	-9.1(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylbutanoylamino)-2-(oxan-4-yl)acetic acid

Drug info:

PubChemData

Smile

CCC(=O)OC1C2=C(C(CC(C2(C)C)(C(C3C(C1=O)(C(CC4C3(CO4)OC(=O)C)O)C)OC(=O)C5=CC(=CC=C5)OC)O)OC(=O)C(C(C6=CC=CC=C6)NC(=O)C(=CC)C)O)C

DOS

IR

Vibrations