Geometry & MOs

Info

ID:

193099

PubChem CID:

78343090

Reduced:

O4N5C27H31 (1)

Stoich.:

A4B5C27D31 (1)

Weight, g/mol:

624.223844

ΔHf, kcal/mol:

-99.84

Dipole, Da:

8.13

IP(EA), eV:

 -8.83(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[1,3-benzodioxol-5-ylmethyl-[(6-chloro-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl)methyl]amino]-2-oxoethyl]-4-methoxy-N-(oxolan-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2(CCN(CC2)C(=O)CC3=CC=C(C=C3)N4C(=O)C5C=CC=CC5=NC4=O)C(=O)N

DOS

IR

Vibrations