Geometry & MOs

Info

ID:	217958
PubChem CID:	85088654
Reduced:	SO4N5C19H21 (1)
Stoich.:	AB4C5D19E21 (1)
Weight, g/mol:	415.199488
ΔH_f, kcal/mol:	-46.38
Dipole, Da:	7.25
IP(EA), eV:	-8.28(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-phenylmethoxyphenyl)butanoate

Drug info:

PubChemData

Smile

CC(=NN=C(N)N)C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations