Geometry & MOs

Info

ID:	302054
PubChem CID:	124349061
Reduced:	SN2O5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	409.03473
ΔH_f, kcal/mol:	-104.31
Dipole, Da:	4.83
IP(EA), eV:	-8.93(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N[C@H]2CC(OC3=CC=CC=C23)(C)C

DOS

IR

Vibrations