Geometry & MOs

Info

ID:	137259
PubChem CID:	52178610
Reduced:	OSN2H8C9 (2)
Stoich.:	ABC2D8E9 (2)
Weight, g/mol:	300.111007
ΔH_f, kcal/mol:	64.92
Dipole, Da:	5.74
IP(EA), eV:	-8.99(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxyphenyl) 4-[(carbamoylamino)methyl]benzoate

Drug info:

PubChemData

Smile

CN1C=CN=C1COC2=CC=C(C=C2)CSC3=NN=C(O3)C4=CC=CS4

DOS

IR

Vibrations