Geometry & MOs

Info

ID:

421193

PubChem CID:

135115533

Reduced:

NOC18H27 (1)

Stoich.:

ABC18D27 (1)

Weight, g/mol:

778.238945

ΔHf, kcal/mol:

-48.08

Dipole, Da:

1.66

IP(EA), eV:

 -8.47(0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-4,10,12-trimethyl-7-propan-2-yl-15-(2-thiophen-2-yl-1,3-thiazole-4-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(=CC=C1)CN2CCC[C@@]3(C2)CCC[C@H]3OC

DOS

IR

Vibrations