Geometry & MOs

Info

ID:	85411
PubChem CID:	49874879
Reduced:	OS2N4C9H12 (1)
Stoich.:	AB2C4D9E12 (1)
Weight, g/mol:	494.172083
ΔH_f, kcal/mol:	5.03
Dipole, Da:	4.38
IP(EA), eV:	-8.54(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[[2-butyl-4-chloro-5-(4,5-dihydro-1,3-oxazol-2-ylmethyl)imidazol-1-yl]methyl]phenyl]carbamoyl]benzoic acid

Drug info:

PubChemData

Smile

CSC1=NC2=C(S1)C(=O)N3CCCNC3N2

DOS

IR

Vibrations