Geometry & MOs

Info

ID:	49337
PubChem CID:	11532871
Reduced:	O2N6C27H28 (1)
Stoich.:	A2B6C27D28 (1)
Weight, g/mol:	468.183127
ΔH_f, kcal/mol:	85.81
Dipole, Da:	3.96
IP(EA), eV:	-8.27(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4-butoxyphenyl)carbamoylamino]methyl]-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)C2=C3N=C(C=C(N3N=C2C)N(CC4=CC=CC=C4)CC5=NC(=NO5)C)C

DOS

IR

Vibrations