Geometry & MOs

Info

ID:	135517
PubChem CID:	51883876
Reduced:	Cl2N3O3C21H21 (1)
Stoich.:	A2B3C3D21E21 (1)
Weight, g/mol:	466.123025
ΔH_f, kcal/mol:	-99.44
Dipole, Da:	2.56
IP(EA), eV:	-9.64(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C(=O)CN2C(=O)[C@@](NC2=O)(C)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations