Geometry & MOs

Info

ID:

188926

PubChem CID:

77787020

Reduced:

N4O5H28C29 (1)

Stoich.:

A4B5C28D29 (1)

Weight, g/mol:

625.268253

ΔHf, kcal/mol:

-77.2

Dipole, Da:

5.63

IP(EA), eV:

 -8.83(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[[5-[5-[carbamoyl(morpholin-4-yl)amino]-4-oxo-2,3,3a,8b-tetrahydro-1H-indeno[1,2-c]pyrazol-3-yl]thiophene-2-carbonyl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=C(C=C3)CC(C(=O)O)NC(=CC(=O)C4=NC=CN=C4)C

DOS

IR

Vibrations