Geometry & MOs

Info

ID:	32054
PubChem CID:	4254404
Reduced:	FN2O4H37C38 (1)
Stoich.:	AB2C4D37E38 (1)
Weight, g/mol:	523.112582
ΔH_f, kcal/mol:	-138.38
Dipole, Da:	5.77
IP(EA), eV:	-9.25(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-[(3,4-difluorophenyl)carbamoylamino]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=O)CC1C2=CC=C(C=C2)F)CC3=CC(=CC=C3)C(=O)NCCC(C4=CC=CC=C4)C5=CC=CC=C5)C

DOS

IR

Vibrations