Geometry & MOs

Info

ID:

419917

PubChem CID:

135109730

Reduced:

SO4N6C30H42 (1)

Stoich.:

AB4C6D30E42 (1)

Weight, g/mol:

678.202732

ΔHf, kcal/mol:

-146.77

Dipole, Da:

5.24

IP(EA), eV:

 -8.87(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S)-5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-22-methoxy-13-(thiophene-2-carbonyl)-2-oxa-5,8,13,17-tetrazatricyclo[17.3.1.13,6]tetracosa-1(22),19(23),20-triene-7,18-dione

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCSC)C(C)C)CC2=CC=NC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations