Geometry & MOs

Info

ID:	32452
PubChem CID:	7836213
Reduced:	N3O5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	419.115107
ΔH_f, kcal/mol:	-165.55
Dipole, Da:	2.89
IP(EA), eV:	-8.4(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-6-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O

DOS

IR

Vibrations