Geometry & MOs

Info

ID:	173126
PubChem CID:	75601150
Reduced:	NC16H21 (1)
Stoich.:	AB16C21 (1)
Weight, g/mol:	452.103352
ΔH_f, kcal/mol:	32.14
Dipole, Da:	2.15
IP(EA), eV:	-7.84(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-6-nitramido-2,4-dihydro-1,3,5-triazin-3-yl]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C=CC2=CCCCC2

DOS

IR

Vibrations