Geometry & MOs

Info

ID:	262363
PubChem CID:	103288354
Reduced:	ClOSN2C16H17 (1)
Stoich.:	ABCD2E16F17 (1)
Weight, g/mol:	321.059028
ΔH_f, kcal/mol:	-17.74
Dipole, Da:	2.1
IP(EA), eV:	-8.44(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-6-[(2-chlorophenyl)methylsulfanylmethyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N)NC(=O)CSCC2=CC=CC=C2Cl

DOS

IR

Vibrations