Geometry & MOs

Info

ID:	61618
PubChem CID:	26711045
Reduced:	NS2O3C23H25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	434.166414
ΔH_f, kcal/mol:	-69.31
Dipole, Da:	3.58
IP(EA), eV:	-9.27(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide

Drug info:

PubChemData

Smile

CC[C@H](C)C1=CC=C(C=C1)[C@@H](C2=CC=CS2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C

DOS

IR

Vibrations