Geometry & MOs

Info

ID:

418073

PubChem CID:

135103464

Reduced:

SN2O3C15H26 (1)

Stoich.:

AB2C3D15E26 (1)

Weight, g/mol:

788.379201

ΔHf, kcal/mol:

-149.87

Dipole, Da:

3.55

IP(EA), eV:

-8.64(0.66)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4R,10S,19S)-15-[3-(2-ethylimidazol-1-yl)propanoyl]-4-(1H-indol-3-ylmethyl)-6,10,12-trimethyl-19-(2-methylpropyl)-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(CCCO1)C(=O)N2CCCN(CC2)C(=O)CCSC

DOS

IR

Vibrations