Geometry & MOs

Info

ID:	155288
PubChem CID:	56352874
Reduced:	S2O3N4C20H22 (1)
Stoich.:	A2B3C4D20E22 (1)
Weight, g/mol:	473.12017
ΔH_f, kcal/mol:	-41.89
Dipole, Da:	6.0
IP(EA), eV:	-8.53(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-benzyl-3-[[4-(4-bromophenyl)oxane-4-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CC(C1=CC=CC=C1)NC(=O)C(C)N2C(=NNC2=S)C3=CC=CS3

DOS

IR

Vibrations