Geometry & MOs

Info

ID:

186349

PubChem CID:

77423808

Reduced:

SN5O6C33H53 (1)

Stoich.:

AB5C6D33E53 (1)

Weight, g/mol:

681.41352

ΔHf, kcal/mol:

-254.8

Dipole, Da:

3.8

IP(EA), eV:

 -8.43(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-tert-butyl-1-[2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCC(C(=O)C(=O)NC1CC1)NC(=O)C2C3C(C3(C)C)CN2C(=O)C(C(C)(C)C)NC(=O)NC4(CCCCC4)C5CCS5=O

DOS

IR

Vibrations