Geometry & MOs

Info

ID:

187354

PubChem CID:

77562631

Reduced:

SN4O5C37H46 (1)

Stoich.:

AB4C5D37E46 (1)

Weight, g/mol:

545.182982

ΔHf, kcal/mol:

-91.02

Dipole, Da:

5.99

IP(EA), eV:

 -8.21(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(6-chloro-2-oxo-1H-indol-3-ylidene)-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]amino]-N-[2-(dimethylamino)ethyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)NC(=O)C1=C2C1=C3C=CCC(C3C4=CC5=C(C=CC(=C5N4C2)C6CCCCC6)OC)C(=O)N7CC8CCC7CN8C

DOS

IR

Vibrations