Geometry & MOs

Info

ID:	238988
PubChem CID:	93165821
Reduced:	NOSC11H13 (2)
Stoich.:	ABCD11E13 (2)
Weight, g/mol:	414.14357
ΔH_f, kcal/mol:	-23.22
Dipole, Da:	4.1
IP(EA), eV:	-8.96(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)N(CC1=CSC(=N1)COC2=CC=CC(=C2C)C)C(=O)C3=CC=CS3

DOS

IR

Vibrations