Geometry & MOs

Info

ID:	60002
PubChem CID:	26663018
Reduced:	O2S2N3C26H27 (1)
Stoich.:	A2B2C3D26E27 (1)
Weight, g/mol:	477.154469
ΔH_f, kcal/mol:	-22.56
Dipole, Da:	6.21
IP(EA), eV:	-8.58(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-[(2R)-2-phenylbutyl]propanamide

Drug info:

PubChemData

Smile

CC[C@@H](CNC(=O)[C@@H](C)SCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)C4=CC=CC=C4

DOS

IR

Vibrations