Geometry & MOs

Info

ID:	223966
PubChem CID:	85336357
Reduced:	SN3O3C20H33 (1)
Stoich.:	AB3C3D20E33 (1)
Weight, g/mol:	397.217698
ΔH_f, kcal/mol:	-120.01
Dipole, Da:	3.37
IP(EA), eV:	-9.36(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(dipropylamino)-1-oxopropan-2-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)C1=NN=C(O1)SC(C)C)NC(=O)C2CCCCCCC2

DOS

IR

Vibrations