Geometry & MOs

Info

ID:

50556

PubChem CID:

12013103

Reduced:

O2N3H17C21 (1)

Stoich.:

A2B3C17D21 (1)

Weight, g/mol:

617.231456

ΔHf, kcal/mol:

-1.56

Dipole, Da:

6.65

IP(EA), eV:

 -8.61(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-2-[(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)amino]-2-phenylethyl] (2R)-2-(6-methoxynaphthalen-2-yl)propanoate

Drug info:

PubChemData

Smile

C[C@H](CO)NC1=C2C=CC=C3C2=C(C=C1)C(=O)N4C3=NC5=CC=CC=C54

DOS

IR

Vibrations