Geometry & MOs

Info

ID:	357290
PubChem CID:	127293923
Reduced:	SN3O3C21H25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	367.135448
ΔH_f, kcal/mol:	-63.53
Dipole, Da:	9.03
IP(EA), eV:	-9.28(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(methoxymethyl)-1,3-benzothiazol-2-yl]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C1CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)N3CCCC4=CC=CC=C4C3

DOS

IR

Vibrations