Geometry & MOs

Info

ID:	185285
PubChem CID:	77281419
Reduced:	F3N3O4C24H26 (1)
Stoich.:	A3B3C4D24E26 (1)
Weight, g/mol:	500.172956
ΔH_f, kcal/mol:	-252.82
Dipole, Da:	2.26
IP(EA), eV:	-8.6(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[4-[6-(2-amino-4-oxo-4aH-thieno[2,3-d]pyrimidin-6-yl)hexyl]benzoyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CC[C@H](C1=CC(=CC(=C1)C)C(F)(F)F)NC2C(C(=O)C2=O)NC3=CC=CC(=C3O)C(=O)N(C)C

DOS

IR

Vibrations