Geometry & MOs

Info

ID:	45028
PubChem CID:	10507339
Reduced:	O2N3C29H37 (1)
Stoich.:	A2B3C29D37 (1)
Weight, g/mol:	573.05692
ΔH_f, kcal/mol:	-73.85
Dipole, Da:	4.05
IP(EA), eV:	-9.14(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,4S)-4-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)CC2C3=CC=CC=C3CCC4=CC=CC=C24)C(=O)NCC5CCC(CC5)N

DOS

IR

Vibrations