Geometry & MOs

Info

ID:	80777
PubChem CID:	49836685
Reduced:	ON2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	451.247107
ΔH_f, kcal/mol:	-47.19
Dipole, Da:	5.31
IP(EA), eV:	-9.02(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2R)-2-[[(2S)-3-methyl-1-[(4-methylbenzoyl)amino]butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations