Geometry & MOs

Info

ID:	299834
PubChem CID:	117695843
Reduced:	OSN3C18H23 (1)
Stoich.:	ABC3D18E23 (1)
Weight, g/mol:	359.216869
ΔH_f, kcal/mol:	5.8
Dipole, Da:	5.3
IP(EA), eV:	-8.29(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2R)-2-acetamido-3-hydroxypropanoyl]amino]-N-[(2R)-1-amino-1-oxopropan-2-yl]-6-(methylamino)hexanamide

Drug info:

PubChemData

Smile

CCN(C)C(=S)NC1=C(N=C(C=C1)OC(C)C2=CC=CC=C2)C

DOS

IR

Vibrations