Geometry & MOs

Info

ID:

434766

PubChem CID:

135175682

Reduced:

OPN2C19H23 (1)

Stoich.:

ABC2D19E23 (1)

Weight, g/mol:

502.213378

ΔHf, kcal/mol:

-0.35

Dipole, Da:

2.35

IP(EA), eV:

 -8.59(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-15-[(dimethylamino)methyl]-N-formyl-2-phosphanyl-14-oxa-11,18-diazapentacyclo[16.6.1.14,11.05,10.019,24]hexacosa-1(25),2,4(26),5,7,9,19,21,23-nonaene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C2=CN=C(C=C2)C(C)P)C(=O)C3CCC3)N

DOS

IR

Vibrations