Geometry & MOs

Info

ID:	82841
PubChem CID:	49856657
Reduced:	N2O2C17H20 (1)
Stoich.:	A2B2C17D20 (1)
Weight, g/mol:	336.216141
ΔH_f, kcal/mol:	-43.76
Dipole, Da:	4.64
IP(EA), eV:	-9.14(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-5-(carbamoylamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]pentanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(C)NC(=O)C2=CN=CC=C2

DOS

IR

Vibrations