Geometry & MOs

Info

ID:	11872
PubChem CID:	122165
Reduced:	N3O6C18H29 (1)
Stoich.:	A3B6C18D29 (1)
Weight, g/mol:	383.205636
ΔH_f, kcal/mol:	-254.43
Dipole, Da:	7.04
IP(EA), eV:	-10.0(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2S,3S)-3-methyl-2-[[(3S)-3-(propylcarbamoyl)oxirane-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCNC(=O)[C@@H]1C(O1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)O

DOS

IR

Vibrations