Geometry & MOs

Info

ID:	26895
PubChem CID:	803761
Reduced:	NOCl2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	290.108899
ΔH_f, kcal/mol:	-68.33
Dipole, Da:	2.64
IP(EA), eV:	-9.17(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S)-4-(2,5-dimethylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)CCC(=O)NC2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations