Geometry & MOs

Info

ID:	147730
PubChem CID:	53787387
Reduced:	C11H19 (2)
Stoich.:	A11B19 (2)
Weight, g/mol:	529.221286
ΔH_f, kcal/mol:	-49.73
Dipole, Da:	0.28
IP(EA), eV:	-9.33(1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-[(2S,3R)-3-(carbamoylcarbamoyl)-2-(2-methoxyphenyl)-5-phenylpyrrolidin-1-yl]-2-oxoethyl]phenyl] propanoate

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)C2CCC(CC2)C=CCCC=CC

DOS

IR

Vibrations