Geometry & MOs

Info

ID:	68692
PubChem CID:	46508906
Reduced:	N3O4C26H27 (1)
Stoich.:	A3B4C26D27 (1)
Weight, g/mol:	474.091929
ΔH_f, kcal/mol:	-87.42
Dipole, Da:	3.1
IP(EA), eV:	-7.91(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)COC(=O)C4=CC(=CC=C4)O

DOS

IR

Vibrations