Geometry & MOs

Info

ID:	156192
PubChem CID:	56369455
Reduced:	N2O2C11H13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	411.138341
ΔH_f, kcal/mol:	-61.06
Dipole, Da:	6.22
IP(EA), eV:	-9.22(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C(=O)NC(C)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations