Geometry & MOs

Info

ID:	225367
PubChem CID:	85756519
Reduced:	SN7O11C29H49 (1)
Stoich.:	AB7C11D29E49 (1)
Weight, g/mol:	361.103811
ΔH_f, kcal/mol:	-554.99
Dipole, Da:	3.52
IP(EA), eV:	-8.64(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-methyl-4-(trifluoromethyl)phenyl]-3-[4-(1,3-oxazol-5-yl)phenyl]urea

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCC(=O)N)C(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CCSC)NC(=O)C

DOS

IR

Vibrations