Geometry & MOs

Info

ID:	398939
PubChem CID:	135036449
Reduced:	N2O10C41H50 (1)
Stoich.:	A2B10C41D50 (1)
Weight, g/mol:	329.081871
ΔH_f, kcal/mol:	-332.81
Dipole, Da:	1.51
IP(EA), eV:	-8.79(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(4-chlorophenyl)carbamoyl]-3-phenylprop-2-enoate

Drug info:

Smile

C/C=C\[C@H]1[C@](O1)(C)C2=CC(=O)C3=C(O2)C4=C(C=C3C)C(=O)C5=C(C4=O)C(=C(C=C5[C@H]6C[C@H]([C@@H]([C@H](O6)C)O)N(C)C)[C@H]7C[C@]([C@H]([C@@H](O7)C)O)(C)N(C)C)O

DOS

IR

Vibrations