Geometry & MOs

Info

ID:

176352

PubChem CID:

76036889

Reduced:

Cl2N12O25C78H88 (1)

Stoich.:

A2B12C25D78E88 (1)

Weight, g/mol:

514.22162

ΔHf, kcal/mol:

-855.12

Dipole, Da:

10.02

IP(EA), eV:

 -9.39(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-2-[[4-[(4-naphthalen-2-yloxypiperidin-1-yl)methyl]phenoxy]methyl]-6-nitro-3H-imidazo[2,1-b][1,3]oxazole

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C(C(=O)NC(C(=O)NC5C(=O)NC7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)NCCN1C=CC=NC1=O)CC(=O)N)NC(=O)C(CC(C)C)NC)O)Cl)CO)O)O)(C)NC(=O)CCCC#C)O

DOS

IR

Vibrations