Geometry & MOs

Info

ID:	192530
PubChem CID:	78281678
Reduced:	SN4C17H25 (1)
Stoich.:	AB4C17D25 (1)
Weight, g/mol:	480.169208
ΔH_f, kcal/mol:	67.58
Dipole, Da:	4.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752092
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-benzyl-2,4-dioxo-1,3-diazinan-5-yl)-N-ethyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC3=NC=NC(=C23)N4CCC[NH+](CC4)C

DOS

IR

Vibrations