Geometry & MOs

Info

ID:	390695
PubChem CID:	135000397
Reduced:	NO3C25H25 (1)
Stoich.:	AB3C25D25 (1)
Weight, g/mol:	343.141973
ΔH_f, kcal/mol:	-56.57
Dipole, Da:	3.6
IP(EA), eV:	-8.26(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(2S,3S)-3-methoxycarbonyl-3-phenyloxiran-2-yl]pyrrole-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C[C@H](C1=CC2=CC=CC=C2C=C1)C3=CC4=C(N3C)CC=CC4

DOS

IR

Vibrations