Geometry & MOs

Info

ID:	317492
PubChem CID:	126639066
Reduced:	FN2O5C32H37 (1)
Stoich.:	AB2C5D32E37 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-201.16
Dipole, Da:	4.98
IP(EA), eV:	-8.11(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z,2S)-2-(phenylmethoxycarbonylamino)hept-4-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)OCC2=C(C=CC3=C2N(C(=O)C(N3)(C)C)C)C4=C(C=C(C=C4)OCC(=O)C(C)(C)C)OC

DOS

IR

Vibrations