Geometry & MOs

Info

ID:	186466
PubChem CID:	77438020
Reduced:	FO5N6H23C25 (1)
Stoich.:	AB5C6D23E25 (1)
Weight, g/mol:	477.218761
ΔH_f, kcal/mol:	-140.4
Dipole, Da:	3.37
IP(EA), eV:	-8.53(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[2-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(2,5-difluorophenyl)oxan-3-yl]-tert-butylcarbamic acid

Drug info:

PubChemData

Smile

CC1(C(C(C(O1)N2C=NC3=C(N=C(N=C32)N)N)F)OC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5

DOS

IR

Vibrations