Geometry & MOs

Info

ID:	44663
PubChem CID:	10505179
Reduced:	N3O5C28H31 (1)
Stoich.:	A3B5C28D31 (1)
Weight, g/mol:	489.226371
ΔH_f, kcal/mol:	-155.69
Dipole, Da:	3.89
IP(EA), eV:	-9.59(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(1-methylindol-3-yl)-2-[(1S)-3-methyl-1-(phenylmethoxycarbonylamino)butyl]-1,3-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H](C2=CC=CC=C2)OC)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations