Geometry & MOs

Info

ID:	302051
PubChem CID:	124349058
Reduced:	SN2O5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	444.171893
ΔH_f, kcal/mol:	-171.71
Dipole, Da:	8.07
IP(EA), eV:	-8.89(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-methoxy-3-(pyrrolidine-1-carbonyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1(C[C@@H](C2=CC=CC=C2O1)NS(=O)(=O)C3=CC(=C(C=C3)OC)C(=O)N4CCCC4)C

DOS

IR

Vibrations