Geometry & MOs

Info

ID:	133662
PubChem CID:	51570704
Reduced:	F2O4N7C15H17 (1)
Stoich.:	A2B4C7D15E17 (1)
Weight, g/mol:	397.076865
ΔH_f, kcal/mol:	-94.67
Dipole, Da:	2.11
IP(EA), eV:	-9.93(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-(difluoromethyl)-5-ethylsulfanyl-1,2,4-triazol-4-yl]-1-[5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]methanimine

Drug info:

PubChemData

Smile

CC1=NN([C@@](C1)(C(F)F)O)C(=O)C2=NN(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

DOS

IR

Vibrations