Geometry & MOs

Info

ID:	391240
PubChem CID:	135003803
Reduced:	BrNSO2H24C26 (1)
Stoich.:	ABCD2E24F26 (1)
Weight, g/mol:	350.103335
ΔH_f, kcal/mol:	-24.75
Dipole, Da:	1.74
IP(EA), eV:	-8.76(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,7S)-5-(4-chlorophenyl)-7-ethoxy-1,3-dimethyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)/C=C\2/C(SC3=C(N2)C=CC(=C3)Br)(C4=C(C=CC(=C4)C)C)O

DOS

IR

Vibrations