Geometry & MOs

Info

ID:	214730
PubChem CID:	85083493
Reduced:	ClSN2O2C35H39 (1)
Stoich.:	ABC2D2E35F39 (1)
Weight, g/mol:	587.203191
ΔH_f, kcal/mol:	-25.18
Dipole, Da:	5.24
IP(EA), eV:	-9.21(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[[2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CCC(CSC(CCC1=CC=CC=C1C(C)(C)NC)C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)C(=O)O

DOS

IR

Vibrations