Geometry & MOs

Info

ID:	189087
PubChem CID:	77815372
Reduced:	SN2O2C16H18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	539.21015
ΔH_f, kcal/mol:	-32.11
Dipole, Da:	3.27
IP(EA), eV:	-8.72(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-4-(4-fluorocyclohexa-2,4-dien-1-yl)-4-hydroxypyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=C)C1NC2C(C=C(S2)C3=CC=CC=C3)C(=O)N1

DOS

IR

Vibrations