Geometry & MOs

Info

ID:	174381
PubChem CID:	75758270
Reduced:	N2O5C31H40 (1)
Stoich.:	A2B5C31D40 (1)
Weight, g/mol:	476.231122
ΔH_f, kcal/mol:	-162.86
Dipole, Da:	2.56
IP(EA), eV:	-8.44(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexylamino)-1-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl]-N-[(5-methylfuran-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN(C(C2=CC(=C(C=C2)OC)OC)C(=O)NC(C)(C)CC(C)(C)C)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations