Geometry & MOs

Info

ID:

422018

PubChem CID:

135117018

Reduced:

S3N4O4C12H20 (1)

Stoich.:

A3B4C4D12E20 (1)

Weight, g/mol:

673.315872

ΔHf, kcal/mol:

-121.87

Dipole, Da:

2.92

IP(EA), eV:

 -9.18(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,13S,19S)-4-benzyl-7-methyl-19-(2-methylpropyl)-13-propan-2-yl-15-(1H-pyrrole-3-carbonyl)-21-thia-3,6,8,9,12,15,18,23-octazatricyclo[18.2.1.05,9]tricosa-1(22),5,7,20(23)-tetraene-2,11,17-trione

Drug info:

PubChemData

Smile

CC1=NN=C(S1)SCC(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations