Geometry & MOs

Info

ID:

169932

PubChem CID:

75168931

Reduced:

SN4O7C28H34 (1)

Stoich.:

AB4C7D28E34 (1)

Weight, g/mol:

436.142993

ΔHf, kcal/mol:

-247.09

Dipole, Da:

7.53

IP(EA), eV:

 -8.81(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-N-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)amino]-2-oxoethanimidoyl cyanide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)N=C(N)N

DOS

IR

Vibrations