Geometry & MOs

Info

ID:	192557
PubChem CID:	78285649
Reduced:	ClSO2N4C18H23 (1)
Stoich.:	ABC2D4E18F23 (1)
Weight, g/mol:	433.178376
ΔH_f, kcal/mol:	-45.67
Dipole, Da:	2.92
IP(EA), eV:	-9.03(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-2,4-dioxo-1-propyl-1,3-diazinan-5-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-butylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC2=NC(=NN2)SC(C)C(=O)NC3CCCC3)Cl

DOS

IR

Vibrations