Geometry & MOs

Info

ID:	186176
PubChem CID:	77399276
Reduced:	O5C9H10 (2)
Stoich.:	A5B9C10 (2)
Weight, g/mol:	496.246789
ΔH_f, kcal/mol:	-358.91
Dipole, Da:	9.47
IP(EA), eV:	-9.16(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(dimethylamino)oxan-4-yl]methylamino]-4-oxo-6-(2-propan-2-ylsulfonylanilino)-1,3-diazinane-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)OC)C=CC(=O)OCC(C2C(=C(C(=O)O2)O)O)O)OC

DOS

IR

Vibrations