Geometry & MOs

Info

ID:	320056
PubChem CID:	126658106
Reduced:	NO3C12H20 (2)
Stoich.:	AB3C12D20 (2)
Weight, g/mol:	338.195405
ΔH_f, kcal/mol:	-298.37
Dipole, Da:	2.26
IP(EA), eV:	-9.56(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(2S,3R)-1-[(2S)-2-(5-ethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C(=O)C(C1CCC(CC1)C(C)(C)C(=O)C(C2CCC2)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations