Geometry & MOs

Info

ID:	434962
PubChem CID:	135176069
Reduced:	ClF2S2N3O4C33H34 (1)
Stoich.:	AB2C2D3E4F33G34 (1)
Weight, g/mol:	423.119497
ΔH_f, kcal/mol:	-191.87
Dipole, Da:	6.26
IP(EA), eV:	-9.13(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[2-amino-3-(5-chlorothiophen-2-yl)-3,3-difluoropropanoyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)NC(C(=O)N4CCC(CC4)N)C(C5=CC=C(C=C5)C6=CC=C(S6)Cl)(F)F

DOS

IR

Vibrations