Geometry & MOs

Info

ID:	239003
PubChem CID:	93165841
Reduced:	SN2O3C23H26 (1)
Stoich.:	AB2C3D23E26 (1)
Weight, g/mol:	360.187149
ΔH_f, kcal/mol:	-49.48
Dipole, Da:	4.68
IP(EA), eV:	-8.9(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-3-methyl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]butanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)N(CC1=CSC(=N1)COC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations