Geometry & MOs

Info

ID:	145756
PubChem CID:	53587719
Reduced:	NSF2O2H13C14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	325.182398
ΔH_f, kcal/mol:	-126.01
Dipole, Da:	3.96
IP(EA), eV:	-8.87(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(5-methylthiophen-2-yl)methyl-propan-2-ylcarbamoyl]amino]-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)SC(C)C(=O)C2=C(C=CC(=C2)F)F)C

DOS

IR

Vibrations