Geometry & MOs

Info

ID:	239045
PubChem CID:	93165911
Reduced:	SN2O2C20H26 (1)
Stoich.:	AB2C2D20E26 (1)
Weight, g/mol:	358.171499
ΔH_f, kcal/mol:	-30.18
Dipole, Da:	4.2
IP(EA), eV:	-8.96(-0.72)
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]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C)N(CC1=CSC(=N1)COC2=CC=CC=C2C)C(=O)C3CC3

DOS

IR

Vibrations