Geometry & MOs

Info

ID:	404423
PubChem CID:	135066278
Reduced:	BrFNO6H25C28 (1)
Stoich.:	ABCD6E25F28 (1)
Weight, g/mol:	333.194008
ΔH_f, kcal/mol:	-230.7
Dipole, Da:	3.11
IP(EA), eV:	-9.74(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-2-methylidene-3-(phenylmethoxycarbonylamino)nonanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@]1(C2=C(C=CC(=C2)Br)C(=O)O1)[C@H](C3=CC=C(C=C3)F)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations