Geometry & MOs

Info

ID:	170233
PubChem CID:	75210100
Reduced:	ClS2O3N4C22H23 (1)
Stoich.:	AB2C3D4E22F23 (1)
Weight, g/mol:	450.115791
ΔH_f, kcal/mol:	-72.13
Dipole, Da:	4.14
IP(EA), eV:	-8.66(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=O)C12)CSC(C)C(=O)NC3=CC(=C(C=C3)N4CCCC4=O)Cl)C

DOS

IR

Vibrations