Geometry & MOs

Info

ID:	338643
PubChem CID:	127259654
Reduced:	N2O5C17H18 (1)
Stoich.:	A2B5C17D18 (1)
Weight, g/mol:	561.189334
ΔH_f, kcal/mol:	-58.38
Dipole, Da:	4.44
IP(EA), eV:	-9.62(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzamide;[N'-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]sulfamic acid

Drug info:

PubChemData

Smile

COCCCNC(=O)C1=CC=C(C=C1)/C=C/C2=CC=C(O2)[N+](=O)[O-]

DOS

IR

Vibrations