Geometry & MOs

Info

ID:

188055

PubChem CID:

77661694

Reduced:

ClN3O7C30H36 (1)

Stoich.:

AB3C7D30E36 (1)

Weight, g/mol:

633.224178

ΔHf, kcal/mol:

-233.82

Dipole, Da:

3.71

IP(EA), eV:

 -8.84(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 14-benzyl-20-chloro-7-[(4-methoxyphenyl)methyl]-8,13,16-trioxo-2-oxa-7,12,15-triazabicyclo[15.4.0]henicosa-1(17),4,18,20-tetraene-11-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC(CCC(=O)N(CC=C)CC1=CC=C(C=C1)OC)C(=O)OC)NC(=O)C2=C(C=C(C=C2)Cl)OCC=C

DOS

IR

Vibrations