Geometry & MOs

Info

ID:	163375
PubChem CID:	57899027
Reduced:	N2O5C17H18 (1)
Stoich.:	A2B5C17D18 (1)
Weight, g/mol:	538.144154
ΔH_f, kcal/mol:	-150.83
Dipole, Da:	6.77
IP(EA), eV:	-9.15(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[2-chloro-4-(piperazine-1-carbonyl)phenyl]-2-N,8-N-dimethyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2,8-dicarboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1O)C=CC(=C2)N3[C@H](COC3=O)CCOC4=NC=CO4

DOS

IR

Vibrations