Geometry & MOs

Info

ID:	165771
PubChem CID:	74596084
Reduced:	S2N3O3C17H21 (1)
Stoich.:	A2B3C3D17E21 (1)
Weight, g/mol:	463.171182
ΔH_f, kcal/mol:	-84.47
Dipole, Da:	6.55
IP(EA), eV:	-9.24(-0.55)
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)-N-(3-methylbutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCC3=NC(=CS3)C

DOS

IR

Vibrations