Geometry & MOs

Info

ID:

421817

PubChem CID:

135116665

Reduced:

NO5C16H21 (1)

Stoich.:

AB5C16D21 (1)

Weight, g/mol:

731.313489

ΔHf, kcal/mol:

-201.96

Dipole, Da:

4.81

IP(EA), eV:

 -8.9(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10S,13S,19S)-13-benzyl-7-ethyl-15-(3-hydroxypropanoyl)-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

C1CN(C[C@H]([C@H]1C(=O)O)O)C(=O)CCCOC2=CC=CC=C2

DOS

IR

Vibrations