Geometry & MOs

Info

ID:	244366
PubChem CID:	99344299
Reduced:	N2O4F6C13H18 (1)
Stoich.:	A2B4C6D13E18 (1)
Weight, g/mol:	438.066777
ΔH_f, kcal/mol:	-481.4
Dipole, Da:	5.02
IP(EA), eV:	-9.83(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-cyclopropyl-2-[(5-methyl-4-nitrothiophene-2-carbonyl)amino]ethyl]-5-methyl-4-nitrothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1[C@@H](CNC(=O)COCC(F)(F)F)NC(=O)COCC(F)(F)F

DOS

IR

Vibrations