Geometry & MOs

Info

ID:

421535

PubChem CID:

135116174

Reduced:

NSO4C21H27 (1)

Stoich.:

ABC4D21E27 (1)

Weight, g/mol:

706.326102

ΔHf, kcal/mol:

-151.09

Dipole, Da:

7.28

IP(EA), eV:

 -9.03(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,10S,19S)-15-(cyclopropanecarbonyl)-4-(1H-indol-3-ylmethyl)-6,10,12-trimethyl-19-(2-methylpropyl)-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

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)OC)O

DOS

IR

Vibrations