Geometry & MOs

Info

ID:	426411
PubChem CID:	135143928
Reduced:	O5C21H22 (1)
Stoich.:	A5B21C22 (1)
Weight, g/mol:	439.117747
ΔH_f, kcal/mol:	-143.19
Dipole, Da:	5.9
IP(EA), eV:	-8.8(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCCOC)C)C2=CC(=O)C3=C(O2)C=CC(=C3)OC

DOS

IR

Vibrations