Geometry & MOs

Info

ID:

161444

PubChem CID:

57391698

Reduced:

SO4N8C27H38 (1)

Stoich.:

AB4C8D27E38 (1)

Weight, g/mol:

625.315872

ΔHf, kcal/mol:

-73.14

Dipole, Da:

4.93

IP(EA), eV:

 -7.96(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-3-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-N-[(2-propan-2-ylsulfonylphenyl)methyl]-1,2,4-triazole-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=CC(=C1)N2CCN(CC2)C)NC3=NC(=NN3C(=O)NCC4=CC=CC=C4S(=O)(=O)C(C)C)N

DOS

IR

Vibrations