Geometry & MOs

Info

ID:	146988
PubChem CID:	53776931
Reduced:	SN6O7C27H34 (1)
Stoich.:	AB6C7D27E34 (1)
Weight, g/mol:	375.20591
ΔH_f, kcal/mol:	-212.51
Dipole, Da:	6.59
IP(EA), eV:	-8.68(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-azidophenyl)-2-[4-[2-ethoxyethyl(ethyl)amino]-2-methylphenyl]prop-2-enenitrile

Drug info:

PubChemData

Smile

C1CO[C@@H](CN1C=NN)CNC(=O)[C@@H]2[C@H](C2CCC(=O)NCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations