Geometry & MOs

Info

ID:

184828

PubChem CID:

77215183

Reduced:

NOC5H7 (2)

Stoich.:

ABC5D7 (2)

Weight, g/mol:

693.269967

ΔHf, kcal/mol:

-35.92

Dipole, Da:

1.04

IP(EA), eV:

-9.4(0.16)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-(12-oxo-10-propan-2-yl-8,37,40-trioxa-4,11,22,34,39-pentazadecacyclo[27.6.1.12,5.16,9.115,19.118,21.07,20.020,24.023,28.033,36]tetraconta-1(35),2,4,6,9(39),15(38),16,18,23(28),24,26,29(36),30,32-tetradecaen-13-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CNC(CC1=CC=CC=C1)C(=O)ON

DOS

IR

Vibrations