Geometry & MOs

Info

ID:	239110
PubChem CID:	93165999
Reduced:	SO2N3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	375.198048
ΔH_f, kcal/mol:	-65.7
Dipole, Da:	4.85
IP(EA), eV:	-8.97(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations