Geometry & MOs

Info

ID:	39305
PubChem CID:	8140160
Reduced:	OSN2C18H22 (1)
Stoich.:	ABC2D18E22 (1)
Weight, g/mol:	412.260017
ΔH_f, kcal/mol:	1.68
Dipole, Da:	5.51
IP(EA), eV:	-8.93(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)C2=CC3=C(S2)CCC3

DOS

IR

Vibrations