Geometry & MOs

Info

ID:	177833
PubChem CID:	76239333
Reduced:	ClS2O4N5C15H17 (1)
Stoich.:	AB2C4D5E15F17 (1)
Weight, g/mol:	437.220909
ΔH_f, kcal/mol:	-72.75
Dipole, Da:	5.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754935
Charge, e:	0

Chem-info

IUPAC name:

N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-1,3-diazinan-5-yl]-N-butyl-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CN1C(=[N+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)C(C(=O)N(C1=O)C)C#N

DOS

IR

Vibrations