Geometry & MOs

Info

ID:	329285
PubChem CID:	126733996
Reduced:	N7O8C29H35 (1)
Stoich.:	A7B8C29D35 (1)
Weight, g/mol:	418.117413
ΔH_f, kcal/mol:	-273.6
Dipole, Da:	8.53
IP(EA), eV:	-9.7(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(E,2R)-5-cyano-3,3-difluoro-2-(2-fluorophenyl)-5-methylsulfonylpent-4-en-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCCOC(=O)CC[C@@H](C(=O)OC)NC(=O)C1=CC=C(C=C1)N(CC2=CN=C3C(=N2)C(=O)N=C(N3)NC(=O)C(C)C)C=O

DOS

IR

Vibrations