Geometry & MOs

Info

ID:

422701

PubChem CID:

135118272

Reduced:

N7C19H21 (1)

Stoich.:

A7B19C21 (1)

Weight, g/mol:

767.324723

ΔHf, kcal/mol:

130.24

Dipole, Da:

6.31

IP(EA), eV:

-9.41(-0.81)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4R,7S,10S,13S,19S)-13-benzyl-7-ethyl-4-methyl-15-(3-methylimidazole-4-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=NC=C2CCC3(C2=N1)CCCN(C3)C4=NN=NN4C5=CC=CC=C5

DOS

IR

Vibrations