Geometry & MOs

Info

ID:	137978
PubChem CID:	52293992
Reduced:	N3O6C23H33 (1)
Stoich.:	A3B6C23D33 (1)
Weight, g/mol:	447.236936
ΔH_f, kcal/mol:	-243.61
Dipole, Da:	6.2
IP(EA), eV:	-8.69(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-3-(3,4-dimethoxyphenyl)-3-[[(3R)-1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@@H](CC(=O)OC)NC(=O)[C@@H]2CCCN(C2)C(=O)N3CCCC3)OC

DOS

IR

Vibrations