Geometry & MOs

Info

ID:

415124

PubChem CID:

135088110

Reduced:

N5C18H25 (1)

Stoich.:

A5B18C25 (1)

Weight, g/mol:

794.411546

ΔHf, kcal/mol:

62.24

Dipole, Da:

3.72

IP(EA), eV:

 -8.28(0.16)

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-3-carbonyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14-pentone

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)CC2=CC=CC3=C2NC=C3

DOS

IR

Vibrations