Geometry & MOs

Info

ID:	178239
PubChem CID:	76301496
Reduced:	S2N4O5C21H30 (1)
Stoich.:	A2B4C5D21E30 (1)
Weight, g/mol:	368.242356
ΔH_f, kcal/mol:	-206.64
Dipole, Da:	7.2
IP(EA), eV:	-8.78(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-1,3-diazinan-5-yl]-N-(2-methylpropyl)-2-prop-2-enoxypropanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCC3C(C2)NC(=S)N(C3=O)CCCOC)NS(=O)(=O)C

DOS

IR

Vibrations