Geometry & MOs

Info

ID:	135126
PubChem CID:	51818852
Reduced:	NOC16H21 (2)
Stoich.:	ABC16D21 (2)
Weight, g/mol:	509.288971
ΔH_f, kcal/mol:	-64.44
Dipole, Da:	7.59
IP(EA), eV:	-8.88(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-2-[tert-butyl-[(1R)-2-(butylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC/C=C/[C@@H](C(=O)NC1CCCCC1)N(C(=O)/C(=C\C2=CC=CC=C2)/C3=CC=CC=C3)C(C)(C)C

DOS

IR

Vibrations