Geometry & MOs

Info

ID:	179237
PubChem CID:	76455031
Reduced:	N5O6C40H57 (1)
Stoich.:	A5B6C40D57 (1)
Weight, g/mol:	421.171417
ΔH_f, kcal/mol:	-281.69
Dipole, Da:	7.15
IP(EA), eV:	-8.48(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-difluorophenyl)-3-[4-[2-(1H-imidazol-2-yl)ethenyl]phenyl]-1-(1,2,4-triazol-1-yl)butan-2-ol

Drug info:

PubChemData

Smile

CC(C)CC(C(CC(=O)NC(CC(C)C)C(=O)NC(CC1=CNC2=CC=CC=C21)C3=CC=CC=C3)O)NC(=O)CC=CCNC(=O)OC(C)(C)C

DOS

IR

Vibrations