Geometry & MOs

Info

ID:

415410

PubChem CID:

135088404

Reduced:

N2O2C19H26 (1)

Stoich.:

A2B2C19D26 (1)

Weight, g/mol:

752.313824

ΔHf, kcal/mol:

49.8

Dipole, Da:

2.5

IP(EA), eV:

-8.88(0.27)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4R,7S,10S,13S,19S)-13-benzyl-7-ethyl-4-methyl-10-(2-methylsulfanylethyl)-19-propan-2-yl-15-(1H-pyrrole-3-carbonyl)-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=CC=C(C=C1)C2(CC2)C(=O)N3C[C@H]4CN([C@@H](C3)COC4)C

DOS

IR

Vibrations