Geometry & MOs

Info

ID:

230627

PubChem CID:

87571517

Reduced:

Cl2S2F3N7O13C32H34 (1)

Stoich.:

A2B2C3D7E13F32G34 (1)

Weight, g/mol:

384.204907

ΔHf, kcal/mol:

-555.86

Dipole, Da:

4.02

IP(EA), eV:

 -9.3(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[2,3-dihydro-1H-inden-1-yl(prop-2-ynoxy)carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1CON=C(O1)C2=C(N(N=C2Cl)C)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC.CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC(F)(F)F

DOS

IR

Vibrations