Geometry & MOs

Info

ID:	426379
PubChem CID:	135143674
Reduced:	ClNO2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	524.255419
ΔH_f, kcal/mol:	-47.78
Dipole, Da:	4.44
IP(EA), eV:	-9.46(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-1-[2-[(3E,5Z)-5-chloro-6-methoxy-3-methylocta-3,5,7-trienyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]propan-2-yl]morpholine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@](C2=CC=C(C=C2)Cl)(C(=O)O)N

DOS

IR

Vibrations