Geometry & MOs

Info

ID:	224380
PubChem CID:	85342283
Reduced:	O5C23H32 (1)
Stoich.:	A5B23C32 (1)
Weight, g/mol:	390.161329
ΔH_f, kcal/mol:	-215.03
Dipole, Da:	5.27
IP(EA), eV:	-8.67(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-butyl-1-(3-methoxy-3-oxopropyl)imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C2C(=C1OC)C(=O)CC3C2(CCCC3(C)C(=O)OC)C)OC

DOS

IR

Vibrations