Geometry & MOs

Info

ID:

421651

PubChem CID:

135116377

Reduced:

N2O2C23H26 (1)

Stoich.:

A2B2C23D26 (1)

Weight, g/mol:

753.271146

ΔHf, kcal/mol:

-46.53

Dipole, Da:

6.37

IP(EA), eV:

 -9.32(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-(5-chloro-2-methoxybenzoyl)-4,10,12-trimethyl-7-propan-2-yl-21-thia-3,6,9,12,15,18,23-heptazabicyclo[18.2.1]tricosa-1(22),20(23)-diene-2,5,8,11,17-pentone

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)C3=C(C=CN=C3C)C4=CC=CC=C4)OCC1

DOS

IR

Vibrations