Geometry & MOs

Info

ID:	406533
PubChem CID:	135077966
Reduced:	O5C9H14 (1)
Stoich.:	A5B9C14 (1)
Weight, g/mol:	305.14495
ΔH_f, kcal/mol:	-213.58
Dipole, Da:	3.4
IP(EA), eV:	-10.04(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hept-2-en-4-yl-4-methyl-N-prop-2-ynylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1(O[C@H]2[C@@H](O[C@@H]([C@H]2O1)OC)C=O)C

DOS

IR

Vibrations