Geometry & MOs

Info

ID:	381945
PubChem CID:	134972815
Reduced:	SN2O6C31H40 (1)
Stoich.:	AB2C6D31E40 (1)
Weight, g/mol:	312.136159
ΔH_f, kcal/mol:	-223.9
Dipole, Da:	8.47
IP(EA), eV:	-9.23(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-phenyl-2-(2-phenylacetyl)oxypropanoate

Drug info:

PubChemData

Smile

CC1(C2CCC13CS(=O)(=O)N(C3C2)C(=O)[C@@H]([C@H](C4=CC=CC=C4)NC(=O)OC(C)(C)C)OCC5=CC=CC=C5)C

DOS

IR

Vibrations