Geometry & MOs

Info

ID:

188642

PubChem CID:

77747420

Reduced:

Cl2O3N5C29H31 (1)

Stoich.:

A2B3C5D29E31 (1)

Weight, g/mol:

505.234349

ΔHf, kcal/mol:

-64.23

Dipole, Da:

6.29

IP(EA), eV:

 -8.0(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[2-[[2-carbamoyl-4-(2-hydroxy-2,5-dimethylhex-3-ynoyl)pyrrolidin-1-yl]methyl]-4-chlorophenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CN(C1CN(CC1C2=CC=C(C=C2)Cl)C(=O)C3CCN(CC3)C4=NC=C(C=C4)N)C(=O)OC5=CC=C(C=C5)Cl

DOS

IR

Vibrations