Geometry & MOs

Info

ID:	189009
PubChem CID:	77802608
Reduced:	NOH11C13 (2)
Stoich.:	ABC11D13 (2)
Weight, g/mol:	365.107479
ΔH_f, kcal/mol:	36.49
Dipole, Da:	2.69
IP(EA), eV:	-9.37(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-benzyl 4-O-methyl 2-amino-2-(3,4-difluorophenyl)-3-hydroxybutanedioate

Drug info:

PubChemData

Smile

CC(=CC1=CN=C(N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations