Geometry & MOs

Info

ID:	390437
PubChem CID:	134999148
Reduced:	N2O2C35H64 (1)
Stoich.:	A2B2C35D64 (1)
Weight, g/mol:	495.262088
ΔH_f, kcal/mol:	-198.52
Dipole, Da:	3.44
IP(EA), eV:	-8.67(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-benzyl-2-[(4-methoxyphenyl)methyl]-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanoate

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2C(C[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)NCCCCCCN)C

DOS

IR

Vibrations