Geometry & MOs

Info

ID:	85032
PubChem CID:	49871414
Reduced:	O2F3H9C12 (2)
Stoich.:	A2B3C9D12 (2)
Weight, g/mol:	336.132136
ΔH_f, kcal/mol:	-417.43
Dipole, Da:	4.75
IP(EA), eV:	-9.6(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-7-nitro-2-(phenylmethoxycarbonylamino)hept-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=CC(=C1)OC2=CC=C(C=C2)C(F)(F)F)OC3=CC=C(C=C3)C(F)(F)F)C

DOS

IR

Vibrations