Geometry & MOs

Info

ID:	64407
PubChem CID:	29200067
Reduced:	N4O6C25H26 (1)
Stoich.:	A4B6C25D26 (1)
Weight, g/mol:	391.156577
ΔH_f, kcal/mol:	-171.44
Dipole, Da:	5.38
IP(EA), eV:	-8.71(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-6-[[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1CCNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)CCN4C(=O)C5=CC=CC=C5C4=O

DOS

IR

Vibrations