Geometry & MOs

Info

ID:	321840
PubChem CID:	126667063
Reduced:	ClF2O3N7C20H20 (1)
Stoich.:	AB2C3D7E20F20 (1)
Weight, g/mol:	435.088676
ΔH_f, kcal/mol:	-117.23
Dipole, Da:	7.53
IP(EA), eV:	-9.11(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(difluoromethyl)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-3-phenylmethoxycyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

C1COC[C@H]([C@@H]1NC2=NC=NC3=NNC(=C32)C(=O)N4C[C@H](C[C@@H]4C5=C(N=CC(=C5)F)Cl)F)O

DOS

IR

Vibrations