Geometry & MOs

Info

ID:	188217
PubChem CID:	77682183
Reduced:	ClN2O5H27C31 (1)
Stoich.:	AB2C5D27E31 (1)
Weight, g/mol:	634.176805
ΔH_f, kcal/mol:	-111.49
Dipole, Da:	5.73
IP(EA), eV:	-9.23(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2,6-dimethoxy-4-(piperidin-1-ylmethyl)phenyl]phenyl]propanoate;hydrochloride

Drug info:

PubChemData

Smile

CC(CC1=C(C(=O)C2=C(O1)C=C(C=C2)Cl)CC3=CC=CC=C3)CNCC(=O)CN4C(=O)C5=CC=CC=C5C4=O

DOS

IR

Vibrations