Geometry & MOs

Info

ID:	170113
PubChem CID:	75197750
Reduced:	SN4O4C21H22 (1)
Stoich.:	AB4C4D21E22 (1)
Weight, g/mol:	468.0797
ΔH_f, kcal/mol:	-70.42
Dipole, Da:	6.06
IP(EA), eV:	-9.11(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyanoprop-2-enoate

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)CCN2C(=O)C3C=CC=CC3=NC2=S)C(=O)C4=CC=CO4

DOS

IR

Vibrations