Geometry & MOs

Info

ID:	326692
PubChem CID:	126688021
Reduced:	INH2C4 (2)
Stoich.:	ABC2D4 (2)
Weight, g/mol:	344.194737
ΔH_f, kcal/mol:	117.07
Dipole, Da:	5.55
IP(EA), eV:	-8.77(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(2S)-4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=CN=NC(=C2C(=C1)I)I

DOS

IR

Vibrations