Geometry & MOs

Info

ID:	183946
PubChem CID:	77091828
Reduced:	FSN3O4C14H16 (1)
Stoich.:	ABC3D4E14F16 (1)
Weight, g/mol:	312.147393
ΔH_f, kcal/mol:	-162.17
Dipole, Da:	7.96
IP(EA), eV:	-9.43(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)-2-oxoacetamide

Drug info:

PubChemData

Smile

CC1=CN2C(=NC(=C2F)C(=O)N(C)[C@@H]3CS(=O)(=O)C[C@H]3O)C=C1

DOS

IR

Vibrations