Geometry & MOs

Info

ID:	29055
PubChem CID:	831356
Reduced:	NSO3H17C18 (1)
Stoich.:	ABC3D17E18 (1)
Weight, g/mol:	215.094629
ΔH_f, kcal/mol:	-46.31
Dipole, Da:	3.88
IP(EA), eV:	-8.51(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-(4-methylphenyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1)SC2=C(C(=O)[C@H]3[C@H]4C[C@@H]([C@H]3C2=O)C=C4)O)C

DOS

IR

Vibrations