Geometry & MOs

Info

ID:

181336

PubChem CID:

76732443

Reduced:

ClO3N6C37H45 (1)

Stoich.:

AB3C6D37E45 (1)

Weight, g/mol:

743.308576

ΔHf, kcal/mol:

-79.23

Dipole, Da:

6.56

IP(EA), eV:

 -9.14(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[[3-(4-chlorophenyl)-1-[3-(2-methoxy-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxopropan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CCCNCCN1CN(C2(C1=O)CCN(CC2)C(=O)C(CC3=CC=C(C=C3)Cl)NC(=O)C4CC5=CC=CC=C5CN4)C6=CC=CC=C6

DOS

IR

Vibrations