Geometry & MOs

Info

ID:	303
PubChem CID:	2549
Reduced:	ClSN2O2C19H21 (1)
Stoich.:	ABC2D2E19F21 (1)
Weight, g/mol:	376.101227
ΔH_f, kcal/mol:	-43.65
Dipole, Da:	3.98
IP(EA), eV:	-8.69(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboximidothioic acid

Drug info:

PubChemData

Smile

C1CC2=CC(=C(C=C2CN(C1)C(=NCCC3=CC=C(C=C3)Cl)S)O)O

DOS

IR

Vibrations