Geometry & MOs

Info

ID:

417486

PubChem CID:

135095370

Reduced:

SN3O4C16H21 (1)

Stoich.:

AB3C4D16E21 (1)

Weight, g/mol:

782.357403

ΔHf, kcal/mol:

-98.15

Dipole, Da:

3.52

IP(EA), eV:

 -9.07(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,10S,19S)-15-(2,3-dihydro-1H-indene-2-carbonyl)-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

CCCC1=NOC(=C1)CNC(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C

DOS

IR

Vibrations