Geometry & MOs

Info

ID:	339838
PubChem CID:	127261847
Reduced:	N3O4C18H25 (1)
Stoich.:	A3B4C18D25 (1)
Weight, g/mol:	215.126991
ΔH_f, kcal/mol:	-175.15
Dipole, Da:	6.89
IP(EA), eV:	-9.42(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-acetamido-N-[(2S)-1-amino-1-oxopropan-2-yl]-N-methylpropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations