Geometry & MOs

Info

ID:	167040
PubChem CID:	74771099
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	395.154172
ΔH_f, kcal/mol:	-26.14
Dipole, Da:	10.45
IP(EA), eV:	-9.52(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1-amino-1-oxopropan-2-yl)-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl]azanium

Drug info:

PubChemData

Smile

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)C3CCC(=O)NC3

DOS

IR

Vibrations