Geometry & MOs

Info

ID:	243044
PubChem CID:	99215255
Reduced:	ClSO2N3H18C22 (1)
Stoich.:	ABC2D3E18F22 (1)
Weight, g/mol:	426.080491
ΔH_f, kcal/mol:	46.64
Dipole, Da:	4.22
IP(EA), eV:	-9.34(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)N[C@H](C3=CC=C(C=C3)Cl)C4=CSC=C4

DOS

IR

Vibrations