Geometry & MOs

Info

ID:

425989

PubChem CID:

135134318

Reduced:

N6O11C42H58 (1)

Stoich.:

A6B11C42D58 (1)

Weight, g/mol:

553.239913

ΔHf, kcal/mol:

-503.33

Dipole, Da:

7.87

IP(EA), eV:

 -8.89(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5'-[C-[(Z)-2-aminoethenyl]-N-phenylcarbonimidoyl]-1'-[(4-methoxyphenyl)methyl]-7'-(thian-4-yloxy)spiro[cyclobutane-1,3'-indole]-2'-one

Drug info:

PubChemData

Smile

C[C@@H](C(C(=O)O)NC(=O)CNC(=O)NC(CC1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)N(C)C(=O)[C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C

DOS

IR

Vibrations