Geometry & MOs

Info

ID:	405501
PubChem CID:	135074181
Reduced:	N2O3C24H28 (1)
Stoich.:	A2B3C24D28 (1)
Weight, g/mol:	463.04529
ΔH_f, kcal/mol:	-7.9
Dipole, Da:	4.77
IP(EA), eV:	-8.88(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-(2-bromophenyl)-2-[[(4-methylphenyl)sulfonyl-prop-2-enylamino]methyl]prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@H]1CC2CC3=C(C=CC=[N+]3[O-])C4(C1)[C@@H]2CCCN4C(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations