Geometry & MOs

Info

ID:

420339

PubChem CID:

135112597

Reduced:

NC4H7 (4)

Stoich.:

AB4C7 (4)

Weight, g/mol:

794.411546

ΔHf, kcal/mol:

15.18

Dipole, Da:

3.14

IP(EA), eV:

 -8.64(0.79)

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-9-(2-methylpropyl)-18-propan-2-yl-16-(pyridine-2-carbonyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14-pentone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN(C)C2C[C@H]3CC(C[C@H]3C2)N(C)C

DOS

IR

Vibrations