Geometry & MOs

Info

ID:	239117
PubChem CID:	93166009
Reduced:	SO2N3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	423.198048
ΔH_f, kcal/mol:	-66.38
Dipole, Da:	5.22
IP(EA), eV:	-8.93(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-butan-2-yl]-1-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-(4-methylphenyl)urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations