Geometry & MOs

Info

ID:	126067
PubChem CID:	50950221
Reduced:	SO3N5C16H17 (1)
Stoich.:	AB3C5D16E17 (1)
Weight, g/mol:	385.163771
ΔH_f, kcal/mol:	-22.83
Dipole, Da:	5.7
IP(EA), eV:	-9.16(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,4S)-4-[[3-(furan-2-carbonylamino)-2-methylbenzoyl]amino]-1-methylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=NN2CCCN(CC2=C1)C(=O)CC3=CN4C=CSC4=N3

DOS

IR

Vibrations