Geometry & MOs

Info

ID:	147265
PubChem CID:	53786920
Reduced:	OC5H6 (5)
Stoich.:	AB5C6 (5)
Weight, g/mol:	461.231456
ΔH_f, kcal/mol:	-175.28
Dipole, Da:	7.99
IP(EA), eV:	-9.23(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[4-(cyclohexylmethylcarbamoyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-pyridin-3-ylbut-3-enoate

Drug info:

PubChemData

Smile

C1C[C@H]2[C@H]([C@H]([C@@H]1O2)CC3=CC(=CC=C3)OCCCC(=O)O)COCC4=CC=CC=C4

DOS

IR

Vibrations