Geometry & MOs

Info

ID:	300521
PubChem CID:	121360382
Reduced:	NSH13C20 (1)
Stoich.:	ABC13D20 (1)
Weight, g/mol:	540.238924
ΔH_f, kcal/mol:	97.43
Dipole, Da:	1.18
IP(EA), eV:	-8.27(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-4-[[(2S)-3,3-dimethyl-1-oxo-1-[(2S)-2-[(E)-2-phenylprop-1-enyl]pyrrolidin-1-yl]butan-2-yl]amino]-4-oxobut-2-en-2-yl]phenyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CN2C3=CC4=C(C=C3)SC5=CC=CC=C54

DOS

IR

Vibrations