Geometry & MOs

Info

ID:	64612
PubChem CID:	29203288
Reduced:	SN4O5C19H24 (1)
Stoich.:	AB4C5D19E24 (1)
Weight, g/mol:	420.146741
ΔH_f, kcal/mol:	-212.19
Dipole, Da:	6.77
IP(EA), eV:	-9.0(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)N[C@@H]1C)CSCC(=O)NC2=CC=CC(=C2)NC(=O)C

DOS

IR

Vibrations