Geometry & MOs

Info

ID:	263882
PubChem CID:	103404317
Reduced:	ClNSO2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	321.059028
ΔH_f, kcal/mol:	-53.26
Dipole, Da:	2.99
IP(EA), eV:	-8.75(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(3-chloro-4-methylthiophen-2-yl)-hydroxymethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

Drug info:

PubChemData

Smile

CC1=CSC(=C1Cl)C(C2=CC3=C(C=C2)N(C(=O)C3)C)O

DOS

IR

Vibrations