Geometry & MOs

Info

ID:

317948

PubChem CID:

126647955

Reduced:

NSO5C34H51 (1)

Stoich.:

ABC5D34E51 (1)

Weight, g/mol:

422.142201

ΔHf, kcal/mol:

-242.85

Dipole, Da:

2.51

IP(EA), eV:

 -8.04(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-chloro-2-(3-fluorophenyl)-6-methyl-3-[1-[[(E)-[5-(methylamino)imidazol-4-ylidene]-(methylideneamino)methyl]amino]ethyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C2CCC(OC2=C1C)(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C(=O)NC(CCSC)C(=O)OC)O

DOS

IR

Vibrations