Geometry & MOs

Info

ID:	170646
PubChem CID:	75263026
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	365.119798
ΔH_f, kcal/mol:	-64.98
Dipole, Da:	6.42
IP(EA), eV:	-8.99(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methyl-6-oxo-1,3-diazinan-2-yl)phenyl]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1CC(=O)NC(N1)C2=CC(=CC=C2)NC(=O)CC3CCC=C3

DOS

IR

Vibrations