Geometry & MOs

Info

ID:	239034
PubChem CID:	93165895
Reduced:	SN2O3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	384.150764
ΔH_f, kcal/mol:	-47.13
Dipole, Da:	4.32
IP(EA), eV:	-8.94(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C)N(CC1=CSC(=N1)COC2=CC=CC=C2C)C(=O)C3=CC=CO3

DOS

IR

Vibrations