Geometry & MOs

Info

ID:

80276

PubChem CID:

49833811

Reduced:

ClN3O5H24C27 (1)

Stoich.:

AB3C5D24E27 (1)

Weight, g/mol:

564.158263

ΔHf, kcal/mol:

-123.19

Dipole, Da:

2.72

IP(EA), eV:

 -8.72(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-chlorophenyl) 6-chloro-1-[4-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC(=O)N2CCC3=C(C2C4=CC=C(C=C4)OCC(=O)N)NC5=C3C=C(C=C5)Cl

DOS

IR

Vibrations