Geometry & MOs

Info

ID:	137995
PubChem CID:	52297042
Reduced:	ION2C19H29 (1)
Stoich.:	ABC2D19E29 (1)
Weight, g/mol:	424.156912
ΔH_f, kcal/mol:	-41.88
Dipole, Da:	3.79
IP(EA), eV:	-8.48(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)CCCCNC(=O)C2=CC=CC(=C2I)C)C

DOS

IR

Vibrations