Geometry & MOs

Info

ID:	358951
PubChem CID:	127296842
Reduced:	SN2O2C12H16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	268.11063
ΔH_f, kcal/mol:	-80.77
Dipole, Da:	1.82
IP(EA), eV:	-9.04(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclobutylmethyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CC=CC(C1)N2C(=O)C3(CCSC3)NC2=O

DOS

IR

Vibrations