Geometry & MOs

Info

ID:	304987
PubChem CID:	124766400
Reduced:	N3O4C21H21 (1)
Stoich.:	A3B4C21D21 (1)
Weight, g/mol:	379.153206
ΔH_f, kcal/mol:	-68.34
Dipole, Da:	4.58
IP(EA), eV:	-8.64(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3S,4R)-3-N-(4-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)NCC4=CN=CC=C4)O3

DOS

IR

Vibrations