Geometry & MOs

Info

ID:	323876
PubChem CID:	126676411
Reduced:	O3N4H16C17 (1)
Stoich.:	A3B4C16D17 (1)
Weight, g/mol:	440.24975
ΔH_f, kcal/mol:	-70.68
Dipole, Da:	4.26
IP(EA), eV:	-8.85(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(3-tert-butyl-4-phenylmethoxyphenyl)imidazol-1-yl]methoxy]ethyl-trimethyl-lambda4-sulfane

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=CN(C1=O)CC2=C3C=CNC3=CC=C2)C(=O)N

DOS

IR

Vibrations