Geometry & MOs

Info

ID:	165775
PubChem CID:	74597260
Reduced:	SO3N4C23H24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	354.124943
ΔH_f, kcal/mol:	-73.01
Dipole, Da:	5.31
IP(EA), eV:	-8.89(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-1-methylsulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)N4CCNC4=O

DOS

IR

Vibrations