Geometry & MOs

Info

ID:

304837

PubChem CID:

124766224

Reduced:

ClN4O5C28H31 (1)

Stoich.:

AB4C5D28E31 (1)

Weight, g/mol:

538.198298

ΔHf, kcal/mol:

-111.03

Dipole, Da:

9.47

IP(EA), eV:

 -9.15(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,5R,6R,7R)-3-[(4-chlorophenyl)methyl]-2-N-cyclohexyl-7-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)[C@@H]2[C@@H]3C(=O)N([C@@H]([C@@]34C=C[C@]2(O4)C)C(=O)NC5CCCCC5)CC6=CC=C(C=C6)Cl

DOS

IR

Vibrations