Geometry & MOs

Info

ID:	281616
PubChem CID:	103914124
Reduced:	SN2O4C16H32 (1)
Stoich.:	AB2C4D16E32 (1)
Weight, g/mol:	249.12774
ΔH_f, kcal/mol:	-233.1
Dipole, Da:	7.07
IP(EA), eV:	-9.18(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-cyano-2-fluorophenyl)methylamino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CC(C)NC1CCC(CC1)NC(=O)OC(C)(C)C

DOS

IR

Vibrations