Geometry & MOs

Info

ID:	420816
PubChem CID:	135114877
Reduced:	N4O4C17H30 (1)
Stoich.:	A4B4C17D30 (1)
Weight, g/mol:	316.063011
ΔH_f, kcal/mol:	-217.13
Dipole, Da:	8.82
IP(EA), eV:	-9.4(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N1)C(=O)C)C(C)C

DOS

IR

Vibrations