Geometry & MOs

Info

ID:	167662
PubChem CID:	74854500
Reduced:	N3O5H25C27 (1)
Stoich.:	A3B5C25D27 (1)
Weight, g/mol:	439.138819
ΔH_f, kcal/mol:	-90.62
Dipole, Da:	14.12
IP(EA), eV:	-8.64(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-methyl-4-oxo-N-phenyl-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C=CC2=CC3=C(C=C2)OCCCO3)C4=CC=CC=C4)C

DOS

IR

Vibrations