Geometry & MOs

Info

ID:

168770

PubChem CID:

75016539

Reduced:

O6N9C31H53 (1)

Stoich.:

A6B9C31D53 (1)

Weight, g/mol:

494.231139

ΔHf, kcal/mol:

-287.54

Dipole, Da:

5.84

IP(EA), eV:

 -9.36(0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[1-(N'-hydroxycarbamimidoyl)piperidin-4-yl]methyl]-1-[2-(methanesulfonamido)-3-phenylpropanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)C(CCC1=CC=CC=C1)NC(=O)C(CO)N

DOS

IR

Vibrations