Geometry & MOs

Info

ID:	174027
PubChem CID:	75713321
Reduced:	N3O6C28H37 (1)
Stoich.:	A3B6C28D37 (1)
Weight, g/mol:	496.232185
ΔH_f, kcal/mol:	-220.31
Dipole, Da:	3.4
IP(EA), eV:	-8.29(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[2-(tert-butylamino)-1-(4-nitrophenyl)-2-oxoethyl]-methylcarbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=CC(=C(C=C1)OC)OC)N(C)C(=O)C2CCCN2C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations