Geometry & MOs

Info

ID:	159026
PubChem CID:	57244581
Reduced:	N2O2C10H11 (2)
Stoich.:	A2B2C10D11 (2)
Weight, g/mol:	454.156243
ΔH_f, kcal/mol:	-10.73
Dipole, Da:	3.64
IP(EA), eV:	-8.54(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[(2S)-2-acetylsulfanyl-3-phenylpropanoyl]amino]-2-oxo-3,4,5,6-tetrahydro-1-benzazocin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=NOC(=C1C(=O)C2=C(C=C(C=C2)N3C=CN(N3)C)C)C4CC4

DOS

IR

Vibrations