Geometry & MOs

Info

ID:	30487
PubChem CID:	841405
Reduced:	OF3N3C14H14 (1)
Stoich.:	AB3C3D14E14 (1)
Weight, g/mol:	323.155515
ΔH_f, kcal/mol:	-142.38
Dipole, Da:	3.61
IP(EA), eV:	-9.17(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(cyclohexanecarbonylamino)-5-propan-2-ylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)NC(=O)CN2C(=CC(=N2)C(F)F)C

DOS

IR

Vibrations