Geometry & MOs

Info

ID:	308075
PubChem CID:	125316855
Reduced:	N4O5C23H24 (1)
Stoich.:	A4B5C23D24 (1)
Weight, g/mol:	436.17467
ΔH_f, kcal/mol:	-172.68
Dipole, Da:	3.84
IP(EA), eV:	-9.43(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[(3S,3'R,5'S)-5'-(2-amino-2-oxoethyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@@H]2C[C@@H](N[C@]23C4=CC=CC=C4NC3=O)CC(=O)N

DOS

IR

Vibrations