Geometry & MOs

Info

ID:	63852
PubChem CID:	26759322
Reduced:	S2N3O6C20H25 (1)
Stoich.:	A2B3C6D20E25 (1)
Weight, g/mol:	400.070463
ΔH_f, kcal/mol:	-186.48
Dipole, Da:	5.0
IP(EA), eV:	-9.41(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C

DOS

IR

Vibrations