Geometry & MOs

Info

ID:

182105

PubChem CID:

76842962

Reduced:

N5O6C30H49 (1)

Stoich.:

A5B6C30D49 (1)

Weight, g/mol:

549.316249

ΔHf, kcal/mol:

-241.05

Dipole, Da:

1.81

IP(EA), eV:

 -9.04(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propyl]amino]-N,3,3-trimethyl-N-[1-(5-nitrofuran-2-carbonyl)piperidin-4-yl]butanamide

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)N(C)C1CCN(CC1)C(=O)C2=C(OC=C2)CN(C)C)NC(=O)C(CC3CCCC3)CN(C=O)O

DOS

IR

Vibrations