Geometry & MOs

Info

ID:	339993
PubChem CID:	127262002
Reduced:	IO3N4C25H33 (1)
Stoich.:	AB3C4D25E33 (1)
Weight, g/mol:	315.179421
ΔH_f, kcal/mol:	-101.23
Dipole, Da:	3.8
IP(EA), eV:	-9.28(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(CC1=CC=C(C=C1)I)[C@H](CC2=CC=CC=C2)C(=O)N)NC(=O)[C@H](CC(C)C)N

DOS

IR

Vibrations