Geometry & MOs

Info

ID:	64611
PubChem CID:	29203266
Reduced:	SO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	420.146741
ΔH_f, kcal/mol:	-53.59
Dipole, Da:	7.21
IP(EA), eV:	-8.66(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@](C)(CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=CC(=C3)NC(=O)C

DOS

IR

Vibrations