Geometry & MOs

Info

ID:

219649

PubChem CID:

85164285

Reduced:

NPSO5C29H32 (1)

Stoich.:

ABCD5E29F32 (1)

Weight, g/mol:

538.258006

ΔHf, kcal/mol:

-222.39

Dipole, Da:

4.27

IP(EA), eV:

 -8.75(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-benzyl-2-[1-(2,3-dihydro-1H-indole-2-carbonyl)-4-hydroxypyrrolidine-2-carbonyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCOP(=O)(CC1=CC=C(C=C1)NC(=O)C2CC3=C(C=C(C=C3)C)C(=O)C(S2)C4=CC=CC=C4)OCC

DOS

IR

Vibrations