Geometry & MOs

Info

ID:	186141
PubChem CID:	77396021
Reduced:	NO4C6H11 (1)
Stoich.:	AB4C6D11 (1)
Weight, g/mol:	630.251206
ΔH_f, kcal/mol:	-178.46
Dipole, Da:	0.81
IP(EA), eV:	-10.11(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(1-hydroxypropan-2-yl)-3-methyl-2-[[methyl-(3-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-naphthalen-1-ylurea

Drug info:

PubChemData

Smile

C1C(C2C(O1)(C(CO2)O)N)O

DOS

IR

Vibrations