Geometry & MOs

Info

ID:	181938
PubChem CID:	76816415
Reduced:	S2N12O19C68H88 (1)
Stoich.:	A2B12C19D68E88 (1)
Weight, g/mol:	240.126263
ΔH_f, kcal/mol:	-595.79
Dipole, Da:	8.35
IP(EA), eV:	-8.75(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-phenyl-2-(1H-pyridin-2-ylidene)acetamide

Drug info:

Smile

CCC(CSC1CCC1SCC(CC(=O)CCOCCC(=O)C)C(=O)NCCOCCOC(=O)CCC(C(=O)O)NC(=O)C2=CC=C(C=C2)CCC3=CN=C4C3C(=O)N=C(N4)N)C(=O)NCCOCCOC(=O)CCC(C(=O)O)NC(=O)C5=CC=C(C=C5)CCC6=CN=C7C6C(=O)N=C(N7)N

DOS

IR

Vibrations