Geometry & MOs

Info

ID:

320098

PubChem CID:

126658198

Reduced:

O6N9C37H47 (1)

Stoich.:

A6B9C37D47 (1)

Weight, g/mol:

550.351906

ΔHf, kcal/mol:

-192.93

Dipole, Da:

4.43

IP(EA), eV:

 -8.95(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[[2-[4-[(2R)-1-(4-tert-butylphenyl)pyrrolidin-2-yl]anilino]-2-oxoethyl]-propylamino]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCC[C@H]1C2=NC3=C(N2)C=C(C=C3)[C@H]4CC[C@@H](N4)C5=CC6=C(C=C5)N=C(N6)[C@@H]7CCCN7C(=O)CNC(=O)OC)NC(=O)OC

DOS

IR

Vibrations