Geometry & MOs

Info

ID:	390415
PubChem CID:	134999056
Reduced:	NOPH24C28 (1)
Stoich.:	ABCD24E28 (1)
Weight, g/mol:	405.212636
ΔH_f, kcal/mol:	29.45
Dipole, Da:	5.44
IP(EA), eV:	-8.95(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-3-ethyl-3-[(Z)-2-ethylsulfanyl-2-phenylethenyl]-5-phenylpyrrol-2-one

Drug info:

PubChemData

Smile

CN1[C@H]([C@H]2C=CC3=CC=CC=C3[C@@H]2[P@]1(=O)C4=CC=CC5=CC=CC=C54)C6=CC=CC=C6

DOS

IR

Vibrations