Geometry & MOs

Info

ID:	262921
PubChem CID:	103329704
Reduced:	S2N5C12H13 (1)
Stoich.:	A2B5C12D13 (1)
Weight, g/mol:	293.094646
ΔH_f, kcal/mol:	75.63
Dipole, Da:	5.15
IP(EA), eV:	-8.39(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-(2-aminothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CN=C(S1)C(C)NC2=C3C=CSC3=NC(=N2)N

DOS

IR

Vibrations