Geometry & MOs

Info

ID:	34965
PubChem CID:	7979142
Reduced:	SN3O5C18H21 (1)
Stoich.:	AB3C5D18E21 (1)
Weight, g/mol:	252.074621
ΔH_f, kcal/mol:	-195.94
Dipole, Da:	5.48
IP(EA), eV:	-9.34(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(carbamoylamino)-2-oxoethyl] 3-methoxybenzoate

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)COC(=O)[C@H]1CS[C@@]2(N1C(=O)CC2)C3=CC=CC=C3

DOS

IR

Vibrations