Geometry & MOs

Info

ID:	141331
PubChem CID:	52862162
Reduced:	SN4O4C21H34 (1)
Stoich.:	AB4C4D21E34 (1)
Weight, g/mol:	392.155849
ΔH_f, kcal/mol:	-169.61
Dipole, Da:	8.46
IP(EA), eV:	-9.02(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[4-(5,7-dihydrobenzo[d][2]benzazepin-6-ylmethyl)-1,3-thiazol-2-yl]acetate

Drug info:

PubChemData

Smile

CCCC(=O)NC[C@@H]1CCCN(C1)[C@@H](C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C

DOS

IR

Vibrations