Geometry & MOs

Info

ID:	159674
PubChem CID:	57288612
Reduced:	PO5C23H49 (1)
Stoich.:	AB5C23D49 (1)
Weight, g/mol:	493.268905
ΔH_f, kcal/mol:	-359.47
Dipole, Da:	5.73
IP(EA), eV:	-9.57(1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-4-[[(2R)-2-aminopropanoyl]amino]-N-[(2R)-1-(5,6-dimethyl-1,3-benzoxazol-2-yl)-1-hydroxy-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOCC(CCOP(=O)(C)OC)OC

DOS

IR

Vibrations