Geometry & MOs

Info

ID:	67596
PubChem CID:	46506787
Reduced:	ClS2O3N4H23C27 (1)
Stoich.:	AB2C3D4E23F27 (1)
Weight, g/mol:	502.177372
ΔH_f, kcal/mol:	-22.21
Dipole, Da:	7.33
IP(EA), eV:	-9.16(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(3,4-dimethoxyphenyl)-6-[[4-(2-methylpropyl)phenyl]sulfonylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C3=CC=CC=C3C4=NC(=NC=C4S2(=O)=O)SCC(=O)NCC5=CC=C(C=C5)Cl

DOS

IR

Vibrations