Geometry & MOs

Info

ID:	327063
PubChem CID:	126688949
Reduced:	PN3O7C15H28 (1)
Stoich.:	AB3C7D15E28 (1)
Weight, g/mol:	297.103479
ΔH_f, kcal/mol:	-408.57
Dipole, Da:	3.83
IP(EA), eV:	-9.8(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethenylbenzenesulfonic acid;3-methyl-2-methylidenebutanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CN(CCC(C)C)P(=O)(O)O

DOS

IR

Vibrations