Geometry & MOs

Info

ID:	69263
PubChem CID:	46530544
Reduced:	SN4O4C23H28 (1)
Stoich.:	AB4C4D23E28 (1)
Weight, g/mol:	424.247441
ΔH_f, kcal/mol:	-95.41
Dipole, Da:	6.78
IP(EA), eV:	-8.48(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-3-[4-(prop-2-enylcarbamoylamino)anilino]propyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)NC(=O)NCC=C

DOS

IR

Vibrations