Geometry & MOs

Info

ID:	206131
PubChem CID:	80208790
Reduced:	BrNOH10C16 (1)
Stoich.:	ABCD10E16 (1)
Weight, g/mol:	316.101227
ΔH_f, kcal/mol:	48.43
Dipole, Da:	2.81
IP(EA), eV:	-9.33(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-4-chloro-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C(=O)C3=CC(=CN=C3)Br

DOS

IR

Vibrations