Geometry & MOs

Info

ID:	234934
PubChem CID:	92303740
Reduced:	SN2O2C25H32 (1)
Stoich.:	AB2C2D25E32 (1)
Weight, g/mol:	422.220557
ΔH_f, kcal/mol:	-83.56
Dipole, Da:	5.1
IP(EA), eV:	-8.79(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (6S)-4-[(2,3-dimethylphenoxy)methyl]-6-(2,5-dimethylphenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCCC[C@H](CC)C(=O)NC1=CC=C(C=C1)[C@H]2N(C(=O)CS2)C3=CC=CC(=C3C)C

DOS

IR

Vibrations