Geometry & MOs

Info

ID:	146342
PubChem CID:	53672709
Reduced:	O8C31H40 (1)
Stoich.:	A8B31C40 (1)
Weight, g/mol:	448.141656
ΔH_f, kcal/mol:	-316.19
Dipole, Da:	4.54
IP(EA), eV:	-8.54(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 3-[(N'-methoxycarbonylcarbamimidoyl)amino]-4-(3-methylbutanoylamino)benzenesulfonate

Drug info:

PubChemData

Smile

CCCC1=C(C(=C(C=C1)OC)C=CC(=O)C2=CC=C(C=C2)OC(OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC

DOS

IR

Vibrations