Geometry & MOs

Info

ID:	324458
PubChem CID:	126677708
Reduced:	IN2C10H19 (1)
Stoich.:	AB2C10D19 (1)
Weight, g/mol:	670.198537
ΔH_f, kcal/mol:	5.21
Dipole, Da:	4.4
IP(EA), eV:	-8.46(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-3-(2-butan-2-yloxy-5-methylphenyl)-2-[[2-fluoro-4-[(E)-2-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethenyl]anilino]-hydroxymethyl]imino-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC(=CCNC1CCN(CC1)I)C

DOS

IR

Vibrations