Geometry & MOs

Info

ID:	312220
PubChem CID:	126603649
Reduced:	OSF2N7C20H25 (1)
Stoich.:	ABC2D7E20F25 (1)
Weight, g/mol:	261.121237
ΔH_f, kcal/mol:	-38.34
Dipole, Da:	6.77
IP(EA), eV:	-8.0(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2-hydroxy-3-prop-2-enoyloxypropoxy)amino] 2-methylbutanoate

Drug info:

PubChemData

Smile

CC1CNCCN(C1)C2=C(C=NN2C)NC(C3=C(SC(=N3)C4=C(C=CC=C4F)F)N)O

DOS

IR

Vibrations