Geometry & MOs

Info

ID:	177279
PubChem CID:	76159114
Reduced:	N4O5C24H38 (1)
Stoich.:	A4B5C24D38 (1)
Weight, g/mol:	454.258006
ΔH_f, kcal/mol:	-220.88
Dipole, Da:	10.76
IP(EA), eV:	-8.97(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridin-4-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide

Drug info:

PubChemData

Smile

CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(CC(C(CN(C(CO2)C)C(=O)CC)C)OC)C

DOS

IR

Vibrations