Geometry & MOs

Info

ID:	417815
PubChem CID:	135102815
Reduced:	SN7O7C37H47 (1)
Stoich.:	AB7C7D37E47 (1)
Weight, g/mol:	332.167083
ΔH_f, kcal/mol:	-241.2
Dipole, Da:	11.12
IP(EA), eV:	-9.14(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[6-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]-thiophen-2-ylmethanol

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)C(=O)CC4=CC=CC=C4OC)C)C)C(C)C

DOS

IR

Vibrations