Geometry & MOs

Info

ID:	239105
PubChem CID:	93165989
Reduced:	SN3O3C19H27 (1)
Stoich.:	AB3C3D19E27 (1)
Weight, g/mol:	377.177313
ΔH_f, kcal/mol:	-88.21
Dipole, Da:	3.95
IP(EA), eV:	-8.7(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations