Geometry & MOs

Info

ID:

189132

PubChem CID:

77821068

Reduced:

SN7O7C34H59 (1)

Stoich.:

AB7C7D34E59 (1)

Weight, g/mol:

667.39787

ΔHf, kcal/mol:

-306.37

Dipole, Da:

5.15

IP(EA), eV:

 -9.44(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-tert-butyl-1-[3,3-dimethyl-2-[[1-(methylsulfonylmethyl)cyclohexyl]carbamoylamino]butanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(CN(C)S(=O)(=O)N(C)C)C(C)(C)C)C(=O)NC(C3CCC3)C(=O)C(=O)NCC=C)C

DOS

IR

Vibrations