Geometry & MOs

Info

ID:	138747
PubChem CID:	52419342
Reduced:	FON6C17H17 (1)
Stoich.:	ABC6D17E17 (1)
Weight, g/mol:	369.145534
ΔH_f, kcal/mol:	32.01
Dipole, Da:	4.44
IP(EA), eV:	-9.31(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2R)-1-[4-chloro-3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C2=NN3C(=NN=C3C4=CC=CC=C4F)C=C2

DOS

IR

Vibrations