Geometry & MOs

Info

ID:	146956
PubChem CID:	53776775
Reduced:	NSO2H13C15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	480.131485
ΔH_f, kcal/mol:	-15.08
Dipole, Da:	2.93
IP(EA), eV:	-9.36(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-methoxyacetyl)amino]-3-[(N'-methoxycarbonylcarbamimidoyl)amino]phenyl] 3-ethoxybenzenesulfonate

Drug info:

PubChemData

Smile

CC(=CC1=CC=C(C=C1)SC2=CC=NC=C2)C(=O)O

DOS

IR

Vibrations