Geometry & MOs

Info

ID:

421486

PubChem CID:

135116083

Reduced:

ClSN2O2C19H21 (1)

Stoich.:

ABC2D2E19F21 (1)

Weight, g/mol:

797.422445

ΔHf, kcal/mol:

-57.04

Dipole, Da:

3.3

IP(EA), eV:

 -9.08(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9S,12R,18S)-12-(1H-indol-3-ylmethyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-16-(5-methyl-1H-imidazole-4-carbonyl)-9-(2-methylpropyl)-18-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14-pentone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)NC(=O)N2CCC3(CC2)C4=C(CCO3)SC=C4

DOS

IR

Vibrations