Geometry & MOs

Info

ID:	56844
PubChem CID:	22394355
Reduced:	NCl2O2H11C16 (1)
Stoich.:	AB2C2D11E16 (1)
Weight, g/mol:	496.169975
ΔH_f, kcal/mol:	-36.2
Dipole, Da:	4.11
IP(EA), eV:	-9.12(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-7-methylindol-2-yl]-[4-(propan-2-ylamino)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(N2CC3=CC(=CC(=C3)Cl)Cl)C(=O)O

DOS

IR

Vibrations