Geometry & MOs

Info

ID:	65235
PubChem CID:	29204650
Reduced:	O2F3N3H20C21 (1)
Stoich.:	A2B3C3D20E21 (1)
Weight, g/mol:	401.065712
ΔH_f, kcal/mol:	-185.26
Dipole, Da:	8.61
IP(EA), eV:	-8.99(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-carbamoylthiophen-2-yl)-N-[4-(trifluoromethoxy)phenyl]butanediamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NC3=CC=C(C=C3)OC(F)(F)F)C

DOS

IR

Vibrations