Geometry & MOs

Info

ID:	81624
PubChem CID:	49854935
Reduced:	OS2N9C25H27 (1)
Stoich.:	AB2C9D25E27 (1)
Weight, g/mol:	446.163729
ΔH_f, kcal/mol:	95.66
Dipole, Da:	5.82
IP(EA), eV:	-8.66(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[4-ethyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]-3-phenylurea

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC2=NC(=NC(=N2)SC3=CC=CC(=C3)NC(=O)NC4=CC=CC=C4)N5CCN(CC5)C

DOS

IR

Vibrations