Geometry & MOs

Info

ID:

449723

PubChem CID:

135300953

Reduced:

I2N3O9C20H27 (1)

Stoich.:

A2B3C9D20E27 (1)

Weight, g/mol:

490.316858

ΔHf, kcal/mol:

-360.41

Dipole, Da:

4.33

IP(EA), eV:

 -9.76(-1.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-[[5-[(3S)-4-(cyclopropylmethyl)-3-methylpiperazin-1-yl]pyridin-2-yl]amino]-3,10,12,14-tetrazatricyclo[8.7.0.011,16]heptadeca-1(17),11,13,15-tetraen-2-ol

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1C(=O)NC(CO)CO)I)NC(=O)[C@H](C)OC(=O)C)I)C(=O)NC(CO)CO

DOS

IR

Vibrations