Geometry & MOs

Info

ID:	40465
PubChem CID:	8144180
Reduced:	S2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	421.182398
ΔH_f, kcal/mol:	110.15
Dipole, Da:	4.99
IP(EA), eV:	-8.26(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(S)-furan-2-yl(phenyl)methyl]amino]methyl]-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC2=NN(C(=S)S2)CN3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations