Geometry & MOs

Info

ID:	427537
PubChem CID:	135159672
Reduced:	ClFS2O3N4H18C19 (1)
Stoich.:	ABC2D3E4F18G19 (1)
Weight, g/mol:	400.156912
ΔH_f, kcal/mol:	-57.36
Dipole, Da:	5.46
IP(EA), eV:	-8.99(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-6-[[(4-methoxyphenyl)methylamino]methyl]-4-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C2C[C@@H](CN2C(=N[C@H]1C3=C(C=C(C=C3)F)Cl)C4=NC=CS4)N(O)SC

DOS

IR

Vibrations