Geometry & MOs

Info

ID:

149047

PubChem CID:

53788718

Reduced:

F3S3N9O15C60H70 (1)

Stoich.:

A3B3C9D15E60F70 (1)

Weight, g/mol:

378.136176

ΔHf, kcal/mol:

-568.55

Dipole, Da:

11.0

IP(EA), eV:

 -8.31(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2,4-dimethylphenoxy)methyl]-3-[4-(2-methylsulfonylhydrazinyl)phenyl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NNS(=O)OC2=C(C=CC(=C2)NC(=O)C(C)OC3=C(C=C(C=C3)C)C)OC.CC1=CC(=C(C=C1)OCNC(=O)NC2=CC=C(C=C2)NNS(=O)(=O)C)C.CC1=CC(=C(C=C1OC)OC)OS(=O)(=O)NNC2=C(C=C(C=C2)C(=O)C)C(F)(F)F

DOS

IR

Vibrations