Geometry & MOs

Info

ID:	180876
PubChem CID:	76698670
Reduced:	O2C19H22 (1)
Stoich.:	A2B19C22 (1)
Weight, g/mol:	539.162074
ΔH_f, kcal/mol:	-61.22
Dipole, Da:	3.7
IP(EA), eV:	-8.38(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-acetamido-3-[[amino-[[amino(dimethylamino)methylidene]amino]methylidene]amino]-3-oxopropyl]sulfanylcarbonylphenyl] 2-acetamido-3-sulfanylpropanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)O)C=CC2=CC=C(C=C2)OC(C)(C)C

DOS

IR

Vibrations