Geometry & MOs

Info

ID:	136645
PubChem CID:	52077368
Reduced:	ClSO3N4C26H29 (1)
Stoich.:	ABC3D4E26F29 (1)
Weight, g/mol:	361.123798
ΔH_f, kcal/mol:	-53.76
Dipole, Da:	5.85
IP(EA), eV:	-9.14(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-difluorophenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CS(=O)(=O)C2=NC=C(C(=N2)Cl)C(=O)NC[C@H](C3=CC=C(C=C3)C)N4CCCC4

DOS

IR

Vibrations