Geometry & MOs

Info

ID:	138971
PubChem CID:	52453104
Reduced:	SN3O3C22H25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	447.161663
ΔH_f, kcal/mol:	-93.59
Dipole, Da:	7.8
IP(EA), eV:	-8.8(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-methylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C(=O)CN2C3=C(C(=O)N(C2=O)C4=CC=CC=C4C)SC=C3)C

DOS

IR

Vibrations