Geometry & MOs

Info

ID:	66363
PubChem CID:	46504448
Reduced:	N2O7H22C26 (1)
Stoich.:	A2B7C22D26 (1)
Weight, g/mol:	485.231456
ΔH_f, kcal/mol:	-161.22
Dipole, Da:	2.68
IP(EA), eV:	-8.58(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C(=O)NC2=CC3=C(C=C2)OCO3)NC(=O)/C=C\C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations