Geometry & MOs

Info

ID:	302053
PubChem CID:	124349060
Reduced:	SN2O5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	376.109293
ΔH_f, kcal/mol:	-102.43
Dipole, Da:	6.32
IP(EA), eV:	-9.0(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methyl-5-nitrobenzenesulfonamide

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