Geometry & MOs

Info

ID:

433236

PubChem CID:

135173373

Reduced:

SN5O5C32H35 (1)

Stoich.:

AB5C5D32E35 (1)

Weight, g/mol:

569.246061

ΔHf, kcal/mol:

-100.44

Dipole, Da:

13.27

IP(EA), eV:

 -7.86(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[3-[[3-(dimethylamino)phenyl]carbamoyl-methylamino]anilino]sulfanyl-4-methoxyphenyl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC(=C1)NC(=O)N(C)C2=CC=CC(=C2)NS(=O)(=O)C3=C(C=CC(=C3)C4=CC(=CC=C4)C(=O)N(C)C)OC

DOS

IR

Vibrations