Geometry & MOs

Info

ID:	177270
PubChem CID:	76157996
Reduced:	O3N5C28H31 (1)
Stoich.:	A3B5C28D31 (1)
Weight, g/mol:	441.193357
ΔH_f, kcal/mol:	-10.13
Dipole, Da:	4.49
IP(EA), eV:	-9.11(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(C(=O)C2=C(N=CC(=C2)C3=CC=CC(=C3)C#N)OC1CN(C)CC4=CC=NC=C4)C(C)CO

DOS

IR

Vibrations