Geometry & MOs

Info

ID:

416473

PubChem CID:

135089488

Reduced:

NOC18H27 (1)

Stoich.:

ABC18D27 (1)

Weight, g/mol:

781.340373

ΔHf, kcal/mol:

-56.5

Dipole, Da:

3.16

IP(EA), eV:

 -8.34(0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10S,13S,19S)-13-benzyl-15-(1,5-dimethylpyrazole-4-carbonyl)-7-ethyl-4-methyl-10-(2-methylsulfanylethyl)-19-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

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)CC3=CC=C(C=C3)C)O

DOS

IR

Vibrations