Geometry & MOs

Info

ID:	418517
PubChem CID:	135105448
Reduced:	ClN2O3C26H27 (1)
Stoich.:	AB2C3D26E27 (1)
Weight, g/mol:	337.101561
ΔH_f, kcal/mol:	-91.88
Dipole, Da:	5.77
IP(EA), eV:	-9.23(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(2-ethylimidazol-1-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1(CCOC2(C1)CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl)O

DOS

IR

Vibrations