Geometry & MOs

Info

ID:	239107
PubChem CID:	93165991
Reduced:	SO2N3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	361.182398
ΔH_f, kcal/mol:	-75.65
Dipole, Da:	5.37
IP(EA), eV:	-8.99(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations