Geometry & MOs

Info

ID:	178498
PubChem CID:	76336729
Reduced:	S3O12C29H52 (1)
Stoich.:	A3B12C29D52 (1)
Weight, g/mol:	358.135114
ΔH_f, kcal/mol:	-436.71
Dipole, Da:	4.42
IP(EA), eV:	-8.49(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-(2-phenylethenylsulfonylamino)-N-propylbenzamide

Drug info:

PubChemData

Smile

CC(CCC(C)C(C)(C)C)C1CC[C@@H]2C1(CC[C@H]3[C@H]2C[C@@H](C4C3(C[C@@H]([C@H](C4)OS(=O)(=O)O)OS(=O)(=O)O)C)OS(=O)(=O)O)C

DOS

IR

Vibrations