Geometry & MOs

Info

ID:	80055
PubChem CID:	49832508
Reduced:	ClSN3O4C24H30 (1)
Stoich.:	ABC3D4E24F30 (1)
Weight, g/mol:	462.187875
ΔH_f, kcal/mol:	-126.22
Dipole, Da:	6.17
IP(EA), eV:	-8.55(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-5-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C(=O)N1CCN(CC1)C2=C(C=CC(=C2)Cl)OC)N3CCC4=C(C3)C=C(S4)OC(=O)C

DOS

IR

Vibrations