Geometry & MOs

Info

ID:	186817
PubChem CID:	77490614
Reduced:	OSF3N5C22H26 (1)
Stoich.:	ABC3D5E22F26 (1)
Weight, g/mol:	302.107813
ΔH_f, kcal/mol:	-143.43
Dipole, Da:	4.05
IP(EA), eV:	-8.81(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(difluoromethoxy)-1-[(3-methylphenyl)methylamino]-1-oxopropan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C1CN(CCN1C2CC(NC2)C(=O)N3CCSC3)C4=NC=C(C5=CC=CC=C54)C(F)(F)F

DOS

IR

Vibrations