Geometry & MOs

Info

ID:

414527

PubChem CID:

135087486

Reduced:

NSO6C14H19 (1)

Stoich.:

ABC6D14E19 (1)

Weight, g/mol:

794.324388

ΔHf, kcal/mol:

-246.96

Dipole, Da:

9.62

IP(EA), eV:

 -9.62(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10S,13S,19S)-13-benzyl-7-ethyl-4-methyl-15-(1-methyl-6-oxopyridine-3-carbonyl)-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

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[C@H]([C@H](C2)C(=O)O)O)OC

DOS

IR

Vibrations