Geometry & MOs

Info

ID:

310239

PubChem CID:

126577130

Reduced:

F2O2S2N4C23H24 (1)

Stoich.:

A2B2C2D4E23F24 (1)

Weight, g/mol:

524.191583

ΔHf, kcal/mol:

-130.46

Dipole, Da:

1.86

IP(EA), eV:

 -8.96(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[(2-pyridin-4-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=C(SC2=C1CCC(C2)(F)F)NC(=O)NCC3=C(SC4=C3CCNC4)N5C=CC=C5

DOS

IR

Vibrations