Geometry & MOs

Info

ID:	182205
PubChem CID:	76858495
Reduced:	N5O5C21H21 (1)
Stoich.:	A5B5C21D21 (1)
Weight, g/mol:	410.198777
ΔH_f, kcal/mol:	-60.63
Dipole, Da:	6.83
IP(EA), eV:	-9.54(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-butyl-2,4-dioxo-1,3-diazinan-5-yl)-5-ethyl-N-(2-methoxyethyl)-4-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN(C1C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C=CC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations