Geometry & MOs

Info

ID:	46747
PubChem CID:	10526911
Reduced:	N4O5C23H24 (1)
Stoich.:	A4B5C23D24 (1)
Weight, g/mol:	436.160935
ΔH_f, kcal/mol:	-114.88
Dipole, Da:	1.91
IP(EA), eV:	-9.6(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylthiophen-3-yl)-(1-tritylimidazol-4-yl)methanol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CC[C@@H](C(=O)N)NC(=O)CCC2=NC(=NO2)C3=CC=CC=C3

DOS

IR

Vibrations