Geometry & MOs

Info

ID:

435906

PubChem CID:

135192733

Reduced:

PS2N6O8C25H41 (1)

Stoich.:

AB2C6D8E25F41 (1)

Weight, g/mol:

390.216809

ΔHf, kcal/mol:

-329.17

Dipole, Da:

13.28

IP(EA), eV:

 -9.15(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-(6-amino-5-methylpyridin-3-yl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]cyclopropane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1[C@@H](C(C(O1)N2C=CC(=NC2=O)NC(=O)C)OC(=S)N3CCS(=O)(=O)CC3)OP(N(C(C)C)C(C)C)ONCC=C

DOS

IR

Vibrations