Geometry & MOs

Info

ID:

47447

PubChem CID:

10532767

Reduced:

N2O3C21H23 (2)

Stoich.:

A2B3C21D23 (2)

Weight, g/mol:

701.146234

ΔHf, kcal/mol:

-116.5

Dipole, Da:

4.3

IP(EA), eV:

 -7.78(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-O-benzhydryl 5-O-tert-butyl (3aS,4S,7R,7aS)-4-(phenylmethoxycarbonylamino)-2-(trichloromethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridine-5,7-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C(C2=CC3=NC(=C(C4=NC(=CC5=C(C(=C(N5)C=C1N2)C)CCO)C(=C4CCC(=O)OC)C)C6=CC=CC=C6)C(=C3C)CCC(=O)OC)CCO

DOS

IR

Vibrations