Geometry & MOs

Info

ID:	390651
PubChem CID:	135000169
Reduced:	BrNSO4C28H28 (1)
Stoich.:	ABCD4E28F28 (1)
Weight, g/mol:	415.238678
ΔH_f, kcal/mol:	-98.94
Dipole, Da:	9.04
IP(EA), eV:	-9.18(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C[C@](C4=C(C(=O)OC(C4=C3C2)(C)C)C)(C)C5=CC=C(C=C5)Br

DOS

IR

Vibrations