Geometry & MOs

Info

ID:	192981
PubChem CID:	78331344
Reduced:	ON5C15H23 (1)
Stoich.:	AB5C15D23 (1)
Weight, g/mol:	519.20863
ΔH_f, kcal/mol:	-26.63
Dipole, Da:	3.67
IP(EA), eV:	-9.3(0.0)
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)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methylbutyl)acetamide

Drug info:

PubChemData

Smile

CC1C(NC(NC1=O)N=C(N)NC2=C(C=C(C=C2)C)C)C

DOS

IR

Vibrations