Geometry & MOs

Info

ID:

414681

PubChem CID:

135087640

Reduced:

SN4O4C19H24 (1)

Stoich.:

AB4C4D19E24 (1)

Weight, g/mol:

760.3479

ΔHf, kcal/mol:

-101.11

Dipole, Da:

5.07

IP(EA), eV:

 -8.86(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,10S,19S)-15-(1,5-dimethylpyrazole-3-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

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)N)OC

DOS

IR

Vibrations