Geometry & MOs

Info

ID:	133356
PubChem CID:	51514580
Reduced:	N3O4H27C28 (1)
Stoich.:	A3B4C27D28 (1)
Weight, g/mol:	422.211353
ΔH_f, kcal/mol:	-50.85
Dipole, Da:	3.94
IP(EA), eV:	-8.89(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[6-methyl-2-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]propanoate

Drug info:

PubChemData

Smile

CC(=O)CCC1=CC=C(C=C1)OC[C@H](CN2C(=O)N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)O

DOS

IR

Vibrations