Geometry & MOs

Info

ID:	33821
PubChem CID:	7888281
Reduced:	N2O4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	422.220557
ΔH_f, kcal/mol:	-129.13
Dipole, Da:	4.93
IP(EA), eV:	-8.65(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)CN4CCCC4=O

DOS

IR

Vibrations