Geometry & MOs

Info

ID:	339896
PubChem CID:	127261905
Reduced:	N3O3C15H29 (1)
Stoich.:	A3B3C15D29 (1)
Weight, g/mol:	319.225977
ΔH_f, kcal/mol:	-182.47
Dipole, Da:	3.33
IP(EA), eV:	-9.41(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-methyl-2-(N-[(2S)-3-methyl-2-(methylamino)butanoyl]anilino)pentanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations