Geometry & MOs

Info

ID:	331236
PubChem CID:	127248643
Reduced:	N3O4C24H29 (1)
Stoich.:	A3B4C24D29 (1)
Weight, g/mol:	420.146741
ΔH_f, kcal/mol:	-123.45
Dipole, Da:	7.34
IP(EA), eV:	-8.43(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-3-yl]pyridin-3-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CC(=O)N2CCC(C2)C3=C(C=CC=N3)C(=O)N4CCOCC4)OC

DOS

IR

Vibrations