Geometry & MOs

Info

ID:

224101

PubChem CID:

85338180

Reduced:

N7O7C29H43 (1)

Stoich.:

A7B7C29D43 (1)

Weight, g/mol:

602.282781

ΔHf, kcal/mol:

-320.24

Dipole, Da:

7.94

IP(EA), eV:

 -8.7(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[3-(aminomethyl)cyclohexyl]methyl]-2-[4-(4-cyanophenyl)-2-(3-methylphenyl)imino-1,3-thiazol-3-yl]-3-(1H-indol-3-yl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC(=O)N(CC(=O)N1CCCC1C(=O)NC(CC2=CC=C(C=C2)O)C(=O)N)C3CCCCC3)NC(=O)CN

DOS

IR

Vibrations