Geometry & MOs

Info

ID:	236301
PubChem CID:	92712291
Reduced:	N2O2C13H15 (2)
Stoich.:	A2B2C13D15 (2)
Weight, g/mol:	498.193691
ΔH_f, kcal/mol:	-97.77
Dipole, Da:	3.35
IP(EA), eV:	-8.33(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-[[4-(1-methylindol-5-yl)sulfonylpiperazine-1-carbonyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)N6CCCC[C@H]6C1=O

DOS

IR

Vibrations