Geometry & MOs

Info

ID:

128224

PubChem CID:

51036519

Reduced:

FN4O4C33H41 (1)

Stoich.:

AB4C4D33E41 (1)

Weight, g/mol:

620.379852

ΔHf, kcal/mol:

-193.58

Dipole, Da:

5.04

IP(EA), eV:

 -8.62(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methoxypropyl]-7-[[(7R)-7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=C(C3=C(N2C(=O)C1)C=C(C=C3)F)C4=CC(=C(C=C4)C(=O)N)NC5CCC(CC5)OCCN6CCOCC6)C

DOS

IR

Vibrations