Geometry & MOs

Info

ID:	417893
PubChem CID:	135103024
Reduced:	SO3N5C14H19 (1)
Stoich.:	AB3C5D14E19 (1)
Weight, g/mol:	386.195405
ΔH_f, kcal/mol:	-48.14
Dipole, Da:	4.75
IP(EA), eV:	-9.96(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(aminomethyl)morpholin-4-yl]-[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]methanone

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1=CC=C(C=C1)C(=O)NCCCN2C=CN=N2

DOS

IR

Vibrations