Geometry & MOs

Info

ID:	398722
PubChem CID:	135035069
Reduced:	SO2H12C15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-24.7
Dipole, Da:	5.87
IP(EA), eV:	-8.39(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-amino-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C2C3=C(C=C1)C(=CSC3=C(C(=O)C2=O)C)C

DOS

IR

Vibrations