Geometry & MOs

Info

ID:	165826
PubChem CID:	74602687
Reduced:	NSO6C13H21 (1)
Stoich.:	ABC6D13E21 (1)
Weight, g/mol:	468.157974
ΔH_f, kcal/mol:	-251.22
Dipole, Da:	12.57
IP(EA), eV:	-9.28(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-benzyl-3-ethyl-5-[2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC(C)(C)[NH2+]CC(C1=CC(=C(C=C1)OS(=O)(=O)[O-])CO)O

DOS

IR

Vibrations