Geometry & MOs

Info

ID:

215462

PubChem CID:

85084772

Reduced:

SF4N7O9C44H53 (1)

Stoich.:

AB4C7D9E44F53 (1)

Weight, g/mol:

931.462596

ΔHf, kcal/mol:

-533.1

Dipole, Da:

7.67

IP(EA), eV:

 -8.76(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[5-amino-1-[[1-[[1-[[1-[1-[(1-hydrazinyl-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)COC(=O)NC(C(C)C)C(=O)N1CC(CC1C(=O)NC(CC(F)F)C(=O)NCCC2=C(C=C(C=C2F)C(=O)O)F)OC3=CC(=NC4=C3C=CC(=C4)OC)C5=CSC(=N5)NC(C)C

DOS

IR

Vibrations