Geometry & MOs

Info

ID:	162509
PubChem CID:	57394897
Reduced:	PN2O7C12H17 (1)
Stoich.:	AB2C7D12E17 (1)
Weight, g/mol:	476.172956
ΔH_f, kcal/mol:	-343.22
Dipole, Da:	5.94
IP(EA), eV:	-10.17(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-[(3-phenoxyphenyl)methylsulfamoylamino]acetyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1[C@H]2[C@@]1([C@H]([C@H]([C@@H]2N3C=CC(=O)NC3=O)O)O)CCP(=O)(O)O

DOS

IR

Vibrations