Geometry & MOs

Info

ID:	126964
PubChem CID:	50985802
Reduced:	NOS2C20H27 (1)
Stoich.:	ABC2D20E27 (1)
Weight, g/mol:	380.163711
ΔH_f, kcal/mol:	-55.13
Dipole, Da:	5.05
IP(EA), eV:	-8.57(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-benzyl-3-(furan-2-ylmethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-imine

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C2C[C@H]3CCC[C@H](C2)C34SCCS4

DOS

IR

Vibrations