Geometry & MOs

Info

ID:	321851
PubChem CID:	126667078
Reduced:	O3S3N5C20H21 (1)
Stoich.:	A3B3C5D20E21 (1)
Weight, g/mol:	311.076928
ΔH_f, kcal/mol:	-11.82
Dipole, Da:	7.26
IP(EA), eV:	-8.8(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetylphenyl)-N-[[5-(trifluoromethyl)furan-2-yl]methyl]formamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C2=CSC(=N2)NC(CN3C=C(C=N3)C4=CC=C(C=C4)S(=O)(=O)C)O

DOS

IR

Vibrations